 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer06_STD_LCPBE_augccpVDZ.in
 Output=11_L-cysteine_conformer06_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-228771.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    228772.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=11_L-cysteine_conformer06_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033600000
 0,3/108=0336000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=336000000,108=336000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "11_L-cysteine_conformer06_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.824986000000     -0.666603000000      0.347306000000
  S                                                 2.495075000000     -0.054602000000     -0.089557000000
  C                                                -0.221037000000      0.216722000000     -0.323933000000
  N                                                -0.188511000000      1.631984000000      0.059661000000
  C                                                -1.629570000000     -0.363004000000     -0.074223000000
  O                                                -1.864770000000     -1.539961000000     -0.094885000000
  O                                                -2.562752000000      0.569109000000      0.133443000000
  H                                                -0.078218000000      0.164081000000     -1.407000000000
  H                                                 0.693275000000     -0.641977000000      1.430481000000
  H                                                 0.698595000000     -1.689914000000      0.005954000000
  H                                                -2.079379000000      1.426945000000      0.123163000000
  H                                                 0.398384000000      2.178893000000     -0.555449000000
  H                                                 0.162984000000      1.752083000000      1.003071000000
  H                                                 3.176630000000     -1.096242000000      0.411704000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.824986   -0.666603    0.347306
      2         16           0        2.495075   -0.054602   -0.089557
      3          6           0       -0.221037    0.216722   -0.323933
      4          7           0       -0.188511    1.631984    0.059661
      5          6           0       -1.629570   -0.363004   -0.074223
      6          8           0       -1.864770   -1.539961   -0.094885
      7          8           0       -2.562752    0.569109    0.133443
      8          1           0       -0.078218    0.164081   -1.407000
      9          1           0        0.693275   -0.641977    1.430481
     10          1           0        0.698595   -1.689914    0.005954
     11          1           0       -2.079379    1.426945    0.123163
     12          1           0        0.398384    2.178893   -0.555449
     13          1           0        0.162984    1.752083    1.003071
     14          1           0        3.176630   -1.096242    0.411704
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.831554   0.000000
     3  C    1.524791   2.739674   0.000000
     4  N    2.528521   3.173086   1.466686   0.000000
     5  C    2.508925   4.136187   1.543503   2.464661   0.000000
     6  O    2.862355   4.605928   2.416662   3.590956   1.200406
     7  O    3.612408   5.101015   2.411845   2.602339   1.335211
     8  H    2.140888   2.899192   1.093710   2.077979   2.112062
     9  H    1.091431   2.429405   2.156687   2.797784   2.781649
    10  H    1.086122   2.431195   2.142384   3.438728   2.680946
    11  H    3.587272   4.813093   2.262293   1.903012   1.856127
    12  H    3.015593   3.098656   2.070603   1.010898   3.287159
    13  H    2.591972   3.145885   2.065368   1.013901   2.974459
    14  H    2.391436   1.341937   3.716070   4.346415   4.886033
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.233269   0.000000
     8  H    2.795921   2.951258   0.000000
     9  H    3.110741   3.708200   3.048972   0.000000
    10  H    2.569727   3.969360   2.457066   1.768468   0.000000
    11  H    2.982639   0.984702   2.817955   3.698260   4.176804
    12  H    4.377655   3.440102   2.238695   3.462396   3.920838
    13  H    4.019309   3.096016   2.896268   2.489058   3.623322
    14  H    5.086181   5.982585   3.935751   2.722373   2.580259
                   11         12         13         14
    11  H    0.000000
    12  H    2.676798   0.000000
    13  H    2.430668   1.632962   0.000000
    14  H    5.837410   4.402334   4.188643   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.85D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.824986   -0.666603    0.347306
      2         16           0        2.495075   -0.054602   -0.089557
      3          6           0       -0.221037    0.216722   -0.323933
      4          7           0       -0.188511    1.631984    0.059661
      5          6           0       -1.629570   -0.363004   -0.074223
      6          8           0       -1.864770   -1.539961   -0.094885
      7          8           0       -2.562752    0.569109    0.133443
      8          1           0       -0.078218    0.164081   -1.407000
      9          1           0        0.693275   -0.641977    1.430481
     10          1           0        0.698595   -1.689914    0.005954
     11          1           0       -2.079379    1.426945    0.123163
     12          1           0        0.398384    2.178893   -0.555449
     13          1           0        0.162984    1.752083    1.003071
     14          1           0        3.176630   -1.096242    0.411704
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5400208           1.1872945           0.9739895
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       375.3095290542 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.336000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.336000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.80D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer06_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637023126 LenY=  5636964121
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -720.706821021945    
 DIIS: error= 5.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -720.706821021945     IErMin= 1 ErrMin= 5.88D-03
 ErrMax= 5.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.41D-01 WtEn= 5.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.422 Goal=   None    Shift=    0.000
 GapD=    0.422 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.65D-03 MaxDP=2.50D-01              OVMax= 1.66D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.63D-03    CP:  9.80D-01
 E= -720.715741803090     Delta-E=       -0.008920781145 Rises=F Damp=F
 DIIS: error= 1.94D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -720.715741803090     IErMin= 2 ErrMin= 1.94D-03
 ErrMax= 1.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-03 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.94D-02
 Coeff-Com:  0.133D+00 0.867D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.130D+00 0.870D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=9.58D-04 MaxDP=3.43D-02 DE=-8.92D-03 OVMax= 1.10D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.82D-04    CP:  9.78D-01  1.10D+00
 E= -720.716149115505     Delta-E=       -0.000407312415 Rises=F Damp=F
 DIIS: error= 1.62D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -720.716149115505     IErMin= 3 ErrMin= 1.62D-03
 ErrMax= 1.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-03 BMatP= 1.39D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.62D-02
 Coeff-Com: -0.378D-01 0.479D+00 0.559D+00
 Coeff-En:   0.000D+00 0.381D+00 0.619D+00
 Coeff:     -0.372D-01 0.478D+00 0.560D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=3.52D-04 MaxDP=1.26D-02 DE=-4.07D-04 OVMax= 5.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.39D-04    CP:  9.77D-01  1.14D+00  1.04D+00
 E= -720.716944823106     Delta-E=       -0.000795707601 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -720.716944823106     IErMin= 4 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-05 BMatP= 1.14D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com: -0.141D-01 0.817D-01 0.141D+00 0.792D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.141D-01 0.816D-01 0.141D+00 0.792D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=4.99D-03 DE=-7.96D-04 OVMax= 1.56D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.90D-05    CP:  9.77D-01  1.15D+00  1.14D+00  1.10D+00
 E= -720.716958768219     Delta-E=       -0.000013945113 Rises=F Damp=F
 DIIS: error= 9.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -720.716958768219     IErMin= 5 ErrMin= 9.76D-05
 ErrMax= 9.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-06 BMatP= 1.58D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.510D-03-0.544D-01-0.397D-01 0.427D+00 0.666D+00
 Coeff:      0.510D-03-0.544D-01-0.397D-01 0.427D+00 0.666D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.68D-05 MaxDP=2.43D-03 DE=-1.39D-05 OVMax= 7.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.05D-05    CP:  9.76D-01  1.15D+00  1.18D+00  1.18D+00  1.11D+00
 E= -720.716965017064     Delta-E=       -0.000006248845 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -720.716965017064     IErMin= 6 ErrMin= 2.11D-05
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-07 BMatP= 7.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-02-0.277D-01-0.282D-01 0.924D-01 0.256D+00 0.706D+00
 Coeff:      0.158D-02-0.277D-01-0.282D-01 0.924D-01 0.256D+00 0.706D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.03D-05 MaxDP=5.59D-04 DE=-6.25D-06 OVMax= 2.56D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.79D-06    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.19D+00
                    CP:  1.17D+00
 E= -720.716965473565     Delta-E=       -0.000000456501 Rises=F Damp=F
 DIIS: error= 5.37D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -720.716965473565     IErMin= 7 ErrMin= 5.37D-06
 ErrMax= 5.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-08 BMatP= 3.83D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.297D-03 0.719D-03-0.141D-02-0.355D-01-0.280D-01 0.169D+00
 Coeff-Com:  0.895D+00
 Coeff:      0.297D-03 0.719D-03-0.141D-02-0.355D-01-0.280D-01 0.169D+00
 Coeff:      0.895D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.81D-06 MaxDP=1.55D-04 DE=-4.57D-07 OVMax= 1.17D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.24D+00
                    CP:  1.30D+00  1.23D+00
 E= -720.716965531331     Delta-E=       -0.000000057766 Rises=F Damp=F
 DIIS: error= 2.71D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -720.716965531331     IErMin= 8 ErrMin= 2.71D-06
 ErrMax= 2.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-09 BMatP= 3.00D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.631D-04 0.315D-02 0.250D-02-0.221D-01-0.365D-01-0.158D-01
 Coeff-Com:  0.307D+00 0.761D+00
 Coeff:     -0.631D-04 0.315D-02 0.250D-02-0.221D-01-0.365D-01-0.158D-01
 Coeff:      0.307D+00 0.761D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.47D-06 MaxDP=4.72D-05 DE=-5.78D-08 OVMax= 3.32D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.51D-07    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.25D+00
                    CP:  1.34D+00  1.31D+00  1.18D+00
 E= -720.716965538137     Delta-E=       -0.000000006806 Rises=F Damp=F
 DIIS: error= 7.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -720.716965538137     IErMin= 9 ErrMin= 7.78D-07
 ErrMax= 7.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-10 BMatP= 4.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.483D-04 0.823D-03 0.891D-03-0.268D-02-0.751D-02-0.242D-01
 Coeff-Com: -0.153D-01 0.215D+00 0.833D+00
 Coeff:     -0.483D-04 0.823D-03 0.891D-03-0.268D-02-0.751D-02-0.242D-01
 Coeff:     -0.153D-01 0.215D+00 0.833D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=5.43D-07 MaxDP=2.05D-05 DE=-6.81D-09 OVMax= 1.40D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.38D-07    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.25D+00
                    CP:  1.35D+00  1.35D+00  1.30D+00  1.20D+00
 E= -720.716965538916     Delta-E=       -0.000000000779 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -720.716965538916     IErMin=10 ErrMin= 2.13D-07
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-11 BMatP= 4.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-05-0.221D-03-0.120D-03 0.215D-02 0.307D-02-0.263D-02
 Coeff-Com: -0.371D-01-0.480D-01 0.145D+00 0.938D+00
 Coeff:     -0.215D-05-0.221D-03-0.120D-03 0.215D-02 0.307D-02-0.263D-02
 Coeff:     -0.371D-01-0.480D-01 0.145D+00 0.938D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.86D-07 MaxDP=1.26D-05 DE=-7.79D-10 OVMax= 4.68D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.06D-08    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.25D+00
                    CP:  1.35D+00  1.35D+00  1.34D+00  1.33D+00  1.24D+00
 E= -720.716965538987     Delta-E=       -0.000000000072 Rises=F Damp=F
 DIIS: error= 7.27D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -720.716965538987     IErMin=11 ErrMin= 7.27D-08
 ErrMax= 7.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-12 BMatP= 3.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.355D-05-0.969D-04-0.893D-04 0.560D-03 0.108D-02 0.125D-02
 Coeff-Com: -0.464D-02-0.235D-01-0.393D-01 0.159D+00 0.905D+00
 Coeff:      0.355D-05-0.969D-04-0.893D-04 0.560D-03 0.108D-02 0.125D-02
 Coeff:     -0.464D-02-0.235D-01-0.393D-01 0.159D+00 0.905D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=4.39D-08 MaxDP=2.30D-06 DE=-7.19D-11 OVMax= 1.53D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.26D-08    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.25D+00
                    CP:  1.34D+00  1.35D+00  1.34D+00  1.35D+00  1.34D+00
                    CP:  1.17D+00
 E= -720.716965538995     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.72D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -720.716965538995     IErMin=12 ErrMin= 2.72D-08
 ErrMax= 2.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-13 BMatP= 2.86D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-05 0.452D-05-0.845D-05-0.153D-03-0.145D-03 0.685D-03
 Coeff-Com:  0.391D-02 0.516D-03-0.324D-01-0.901D-01 0.254D+00 0.864D+00
 Coeff:      0.116D-05 0.452D-05-0.845D-05-0.153D-03-0.145D-03 0.685D-03
 Coeff:      0.391D-02 0.516D-03-0.324D-01-0.901D-01 0.254D+00 0.864D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.57D-08 MaxDP=4.78D-07 DE=-7.73D-12 OVMax= 7.71D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.01D-08    CP:  9.76D-01  1.15D+00  1.19D+00  1.20D+00  1.25D+00
                    CP:  1.34D+00  1.35D+00  1.34D+00  1.35D+00  1.37D+00
                    CP:  1.28D+00  1.15D+00
 E= -720.716965539018     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 1.07D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -720.716965539018     IErMin=13 ErrMin= 1.07D-08
 ErrMax= 1.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.91D-14 BMatP= 5.93D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.313D-06 0.160D-04 0.122D-04-0.116D-03-0.192D-03-0.403D-04
 Coeff-Com:  0.145D-02 0.379D-02-0.907D-03-0.429D-01-0.841D-01 0.174D+00
 Coeff-Com:  0.949D+00
 Coeff:     -0.313D-06 0.160D-04 0.122D-04-0.116D-03-0.192D-03-0.403D-04
 Coeff:      0.145D-02 0.379D-02-0.907D-03-0.429D-01-0.841D-01 0.174D+00
 Coeff:      0.949D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=6.47D-09 MaxDP=2.40D-07 DE=-2.25D-11 OVMax= 3.49D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -720.716965539     A.U. after   13 cycles
            NFock= 13  Conv=0.65D-08     -V/T= 2.0035
 KE= 7.182275346745D+02 PE=-2.453458880766D+03 EE= 6.392048514979D+02
 Leave Link  502 at Mon Aug 16 21:20:55 2021, MaxMem=  5637144576 cpu:             470.5 elap:              59.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.47909605D+02

 Leave Link  801 at Mon Aug 16 21:20:55 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.95D-01 6.25D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 2.56D-02 2.98D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.87D-03 8.13D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.24D-04 1.99D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 5.29D-06 3.25D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 2.09D-07 5.45D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 5.78D-09 9.32D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.19D-10 1.24D-06.
     10 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.81D-12 1.61D-07.
      5 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 2.70D-14 2.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.919358D+02
      2 -0.610030D+00  0.769771D+02
      3 -0.107865D+01  0.188712D+00  0.604352D+02
 Isotropic polarizability for W=    0.088559       76.45 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.879048D+02 -0.531035D+01  0.233206D+01
      2  -0.515370D+02  0.541300D+00 -0.222423D+00
      3  -0.363678D+02  0.476905D+01 -0.210964D+01
      4  -0.670255D+01  0.113961D+02 -0.477529D+01
      5   0.624436D+01 -0.630776D+01  0.605290D+02
      6  -0.150527D+01  0.337084D+01  0.387123D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.208899D+00 -0.300930D+01 -0.185812D+01
      2   0.339590D+01 -0.127578D+01  0.320441D+02
      3   0.611333D+01 -0.102156D+02  0.184466D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.153246D+01  0.359326D+01  0.897826D+00
      2  -0.391230D+01 -0.327002D+01  0.968968D+02
      3  -0.139220D+01 -0.629331D+02  0.480249D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.986728D-01 -0.136529D+00 -0.112560D+01
      2  -0.136529D+00  0.209275D+00 -0.121165D+01
      3  -0.112560D+01 -0.121165D+01  0.667183D+00
 OR G Eigenvalues:    -1.4058     0.1847     1.9989  Iso=    -0.2593
 Eigenvectors:
   (1)   0.589208   0.516158   0.621623
   (2)   0.710397  -0.697466  -0.094219
   (3)  -0.384929  -0.497113   0.777629
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2593 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -108.51 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 6.96D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.43D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 4.02D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 3.47D-02 4.21D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 1.10D-03 4.82D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.41D-05 5.05D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 2.15D-07 6.33D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 2.24D-09 5.72D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 1.75D-11 4.33D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 1.27D-13 3.80D-08.
      1 vectors produced by pass  8 Test12= 1.74D-14 2.78D-09 XBig12= 1.16D-15 3.54D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 4.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 4.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.919358D+02 -0.610030D+00 -0.107865D+01
      2  -0.610030D+00  0.769771D+02  0.188712D+00
      3  -0.107865D+01  0.188712D+00  0.604352D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.208899D+00 -0.300930D+01 -0.185812D+01
      2   0.339590D+01 -0.127578D+01  0.320441D+02
      3   0.611333D+01 -0.102156D+02  0.184466D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.879048D+02 -0.531035D+01  0.233206D+01
      2  -0.515370D+02  0.541300D+00 -0.222423D+00
      3  -0.363678D+02  0.476905D+01 -0.210964D+01
      4  -0.670255D+01  0.113961D+02 -0.477529D+01
      5   0.624436D+01 -0.630776D+01  0.605290D+02
      6  -0.150527D+01  0.337084D+01  0.387123D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.914518D+01 -0.291886D+01  0.135529D+01 -0.366749D+01  0.852619D+00
      2  -0.291886D+01  0.150057D+00 -0.519914D+00  0.852619D+00  0.266644D+01
      3   0.135529D+01 -0.519914D+00 -0.721511D+00  0.709557D+00  0.105010D+01
                 6             7             8             9            10 
      1   0.709557D+00  0.223409D+01  0.432278D+00  0.185626D+01  0.101207D+02
      2   0.105010D+01  0.432278D+00  0.218519D+01  0.953479D+00  0.522759D+01
      3  -0.328932D+00  0.185626D+01  0.953479D+00 -0.560713D+01 -0.273648D+01
                11            12            13            14            15 
      1   0.522759D+01 -0.273648D+01  0.819992D+01  0.319922D+00  0.967784D+00
      2  -0.459298D+00  0.101165D+01  0.319922D+00  0.581970D+01 -0.261144D+01
      3   0.101165D+01  0.137635D+01  0.967784D+00 -0.261144D+01  0.205454D+01
                16            17            18            19            20 
      1  -0.427223D+01  0.840169D+00  0.299151D+01  0.343320D+01  0.270239D+01
      2   0.840169D+00 -0.301201D+01  0.997527D+00  0.270239D+01 -0.130052D+01
      3   0.299151D+01  0.997527D+00 -0.143723D+01 -0.311388D+00  0.418410D+00
                21            22            23            24            25 
      1  -0.311388D+00  0.334758D+01  0.352140D+00  0.511655D-01 -0.103949D+01
      2   0.418410D+00  0.352140D+00 -0.253834D+01 -0.502301D+00  0.922104D+00
      3  -0.585851D+00  0.511655D-01 -0.502301D+00  0.550637D+00 -0.465239D+00
                26            27            28            29            30 
      1   0.922104D+00 -0.465239D+00 -0.131798D+01 -0.163432D+01  0.635548D+00
      2  -0.115989D+01 -0.328161D-03 -0.163432D+01 -0.159785D+01  0.840042D-01
      3  -0.328161D-03  0.563981D+01  0.635548D+00  0.840042D-01 -0.182162D+01
                31            32            33            34            35 
      1  -0.102810D+01 -0.203600D+01  0.277945D+00  0.872237D+00  0.286190D+00
      2  -0.203600D+01  0.402766D+01  0.800812D+00  0.286190D+00  0.998574D+00
      3   0.277945D+00  0.800812D+00 -0.986885D+00 -0.204859D+01 -0.763566D+00
                36            37            38            39            40 
      1  -0.204859D+01 -0.299908D+01 -0.205286D+01 -0.112899D+00 -0.117065D+01
      2  -0.763566D+00 -0.205286D+01  0.134323D+01  0.853518D-01  0.256858D+01
      3  -0.280140D+01 -0.112899D+00  0.853518D-01 -0.288375D+00  0.173179D+00
                41            42            43            44            45 
      1   0.256858D+01  0.173179D+00  0.746846D+00  0.276833D+00 -0.245445D+00
      2   0.595740D+01  0.206182D+00  0.276833D+00  0.587578D+00  0.283593D+00
      3   0.206182D+00  0.303580D+00 -0.245445D+00  0.283593D+00 -0.373664D+00
                46            47            48            49            50 
      1  -0.201534D+01 -0.325637D+01 -0.179710D+00 -0.456765D+01 -0.305873D+01
      2  -0.325637D+01 -0.263082D+01 -0.224161D+00 -0.305873D+01 -0.129728D+02
      3  -0.179710D+00 -0.224161D+00 -0.179285D+00 -0.138558D+00 -0.364258D+00
                51            52            53            54            55 
      1  -0.138558D+00 -0.397967D+00 -0.118971D+00 -0.115138D+01 -0.826415D+01
      2  -0.364258D+00 -0.118971D+00 -0.206637D+00 -0.314134D+01  0.192451D+01
      3  -0.233977D+01 -0.115138D+01 -0.314134D+01 -0.231298D+00  0.502406D+00
                56            57            58            59            60 
      1   0.192451D+01  0.502406D+00 -0.187405D+01 -0.397502D+01 -0.566294D-01
      2  -0.244621D+01 -0.164174D+00 -0.397502D+01 -0.672737D+00  0.694977D-01
      3  -0.164174D+00 -0.984792D+00 -0.566294D-01  0.694977D-01  0.492291D+00
                61            62            63            64            65 
      1   0.845021D+00 -0.257446D+00 -0.188658D+01  0.596142D+00 -0.566651D+00
      2  -0.257446D+00  0.164114D-01  0.121668D+01 -0.566651D+00  0.308906D+00
      3  -0.188658D+01  0.121668D+01  0.805797D+00 -0.803307D+00 -0.107201D+00
                66            67            68            69            70 
      1  -0.803307D+00 -0.996270D+00  0.122451D+00  0.778787D-01 -0.213266D+01
      2  -0.107201D+00  0.122451D+00  0.490428D+00 -0.945353D+00 -0.107551D+00
      3   0.682759D+00  0.778787D-01 -0.945353D+00 -0.292131D+00  0.398371D-01
                71            72            73            74            75 
      1  -0.107551D+00  0.398371D-01 -0.191113D+00  0.133092D+00  0.876694D+00
      2  -0.141911D+01  0.102933D+00  0.133092D+00 -0.133640D+00  0.200017D+00
      3   0.102933D+00 -0.731163D+01  0.876694D+00  0.200017D+00 -0.672181D+00
                76            77            78            79            80 
      1   0.944175D+00 -0.408011D+00 -0.217580D-01  0.302398D+01  0.181717D+00
      2  -0.408011D+00 -0.593394D+00  0.872611D+00  0.181717D+00  0.115472D+01
      3  -0.217580D-01  0.872611D+00  0.158029D+00 -0.168123D+01 -0.139450D+01
                81            82            83            84            85 
      1  -0.168123D+01 -0.423033D+00 -0.437339D+00 -0.416250D+00 -0.226559D+01
      2  -0.139450D+01 -0.437339D+00 -0.156307D+00  0.921722D-01 -0.962077D+00
      3   0.729501D+01 -0.416250D+00  0.921722D-01 -0.688850D-02 -0.572732D-01
                86            87            88            89            90 
      1  -0.962077D+00 -0.572732D-01 -0.172003D+01 -0.237822D+00 -0.383426D+00
      2  -0.683705D+01 -0.449192D+00 -0.237822D+00 -0.144519D+01 -0.104232D+01
      3  -0.449192D+00 -0.929207D+00 -0.383426D+00 -0.104232D+01 -0.905695D-01
                91            92            93            94            95 
      1   0.196562D+01  0.196953D+01 -0.119548D+00  0.508386D+01  0.102211D+00
      2   0.196953D+01  0.470277D+00  0.101954D+00  0.102211D+00  0.462895D+01
      3  -0.119548D+00  0.101954D+00 -0.378521D+00 -0.163460D+00  0.234187D+00
                96            97            98            99           100 
      1  -0.163460D+00 -0.127334D+00 -0.730979D-01 -0.687269D+00  0.191618D+01
      2   0.234187D+00 -0.730979D-01  0.702768D-01  0.566783D+00  0.161408D+01
      3   0.911635D+00 -0.687269D+00  0.566783D+00  0.171847D+00 -0.737163D+00
               101           102           103           104           105 
      1   0.161408D+01 -0.737163D+00  0.225969D+01  0.176077D+01 -0.742625D+00
      2   0.267062D+01 -0.865318D+00  0.176077D+01  0.371489D+01 -0.105244D+01
      3  -0.865318D+00  0.107583D+01 -0.742625D+00 -0.105244D+01  0.134660D+01
               106           107           108           109           110 
      1  -0.208597D+01 -0.100365D+01  0.102922D+01  0.332471D+00  0.553253D+00
      2  -0.100365D+01 -0.230776D+01  0.154451D+01  0.553253D+00  0.861511D+00
      3   0.102922D+01  0.154451D+01 -0.177573D+01  0.620749D+00  0.711597D+00
               111           112           113           114           115 
      1   0.620749D+00  0.610268D+00  0.371274D+00  0.376885D+00  0.197155D+01
      2   0.711597D+00  0.371274D+00  0.128238D+01  0.726798D+00  0.337260D+00
      3   0.117361D+01  0.376885D+00  0.726798D+00  0.851986D+00  0.133666D+01
               116           117           118           119           120 
      1   0.337260D+00  0.133666D+01  0.599154D+01 -0.325804D+01  0.142606D+01
      2   0.223399D+01  0.166005D+01 -0.325804D+01  0.292005D+01 -0.824394D+00
      3   0.166005D+01  0.500573D+01  0.142606D+01 -0.824394D+00  0.133048D+01
               121           122           123           124           125 
      1  -0.487566D+01  0.398987D+01 -0.145409D+01  0.208195D+01 -0.147802D+01
      2   0.398987D+01 -0.497354D+01  0.196479D+01 -0.147802D+01  0.230385D+01
      3  -0.145409D+01  0.196479D+01 -0.179237D+01  0.129568D+01 -0.983490D+00
               126 
      1   0.129568D+01
      2  -0.983490D+00
      3   0.710445D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.949381D+00 -0.126570D+01  0.460837D+00  0.261016D+00  0.491664D+01
      2   0.578316D+01 -0.129359D+01 -0.219449D+01  0.165350D+01 -0.288581D+00
      3   0.613196D+01  0.316363D+01  0.750696D+00  0.120418D+02 -0.300274D+01
                 6             7             8             9            10 
      1  -0.297312D+01  0.438493D+01  0.358963D+01 -0.443459D+01 -0.346466D-01
      2  -0.134687D+01 -0.752831D+01 -0.613203D+00 -0.221385D+01 -0.115618D+02
      3  -0.278387D+01 -0.280128D+01 -0.264929D+01 -0.298030D+01 -0.202391D+02
                11            12            13            14            15 
      1   0.171704D+01  0.562384D+00  0.122453D+01  0.936253D+00 -0.591288D+01
      2   0.218700D+01  0.759809D+01  0.931862D+00 -0.754388D+01  0.666096D+01
      3  -0.227616D+01 -0.119865D+01  0.167630D+02 -0.197721D+02  0.700169D+01
                16            17            18            19            20 
      1  -0.206654D+00  0.981244D+01 -0.168224D+01 -0.186706D+01  0.479750D+00
      2  -0.103202D+02  0.378278D+01 -0.255829D+01  0.130705D+01 -0.732145D+00
      3  -0.249860D+00  0.856099D+01 -0.371872D+01  0.186440D+01 -0.602918D+01
                21            22            23            24            25 
      1  -0.771595D+00  0.276814D+00  0.358675D+00 -0.500581D+00 -0.204886D+01
      2   0.316857D+01  0.170289D+01 -0.113417D+01  0.320671D+01 -0.333922D+01
      3   0.644161D+00 -0.200271D+01 -0.238610D+01  0.274739D+00 -0.227160D+00
                26            27            28            29            30 
      1   0.420104D+01 -0.189985D+00 -0.142070D+01 -0.129420D+01  0.546632D+01
      2   0.729299D-02 -0.394463D+01 -0.335010D-01  0.111543D+01  0.546173D+01
      3   0.191537D+01  0.509909D+00 -0.310369D+01 -0.125330D+02  0.933277D+00
                31            32            33            34            35 
      1  -0.240033D+01 -0.382574D+01 -0.222661D+01  0.531040D+01  0.669042D+01
      2   0.177782D+00  0.346097D+00 -0.129481D+01 -0.232565D+01 -0.138651D+00
      3   0.114671D+01  0.401590D+00  0.147238D+01  0.234759D+01  0.175419D+01
                36            37            38            39            40 
      1   0.515629D+01  0.108277D+01  0.892123D+00  0.143788D+00  0.165259D+01
      2   0.217911D+01 -0.392576D+01 -0.149260D+00 -0.618404D+01 -0.111865D-01
      3  -0.611021D+01 -0.678785D+01  0.123646D+01 -0.148368D+00  0.126087D+00
                41            42            43            44            45 
      1  -0.591882D+00  0.921292D+01  0.182652D-01  0.938909D+01  0.901267D+00
      2   0.116550D+01 -0.218437D+01 -0.189500D+02 -0.176297D+01  0.347306D+01
      3   0.121422D+02 -0.993735D+00  0.689003D+00 -0.187567D+01  0.987606D+00
                46            47            48            49            50 
      1   0.164574D+00  0.171868D+00 -0.275910D+01  0.838812D-01  0.117681D+01
      2   0.283390D+00  0.480953D+00  0.543064D+01 -0.169830D+01 -0.340783D+00
      3  -0.175342D+01 -0.638741D+01 -0.426317D+00  0.101847D+02 -0.234804D+02
                51            52            53            54            55 
      1  -0.108331D+02 -0.553207D+00  0.883024D+00 -0.113058D+00 -0.978932D+00
      2   0.548662D+01  0.305829D+01  0.583313D+01 -0.266214D+00  0.125643D+00
      3  -0.972704D-01 -0.100654D+01  0.614167D-01 -0.570100D+01 -0.507807D+01
                56            57            58            59            60 
      1  -0.903483D+00  0.287400D+01 -0.418830D+00 -0.642442D+00 -0.389466D+01
      2   0.770409D+00  0.938846D+01  0.137224D+01 -0.102402D+00 -0.140427D+01
      3  -0.167984D+02 -0.385609D+00 -0.126894D+02 -0.860158D+01  0.142329D+00
                61            62            63            64            65 
      1   0.627042D+00  0.209961D+01 -0.565709D+00  0.451368D+00 -0.715022D+00
      2   0.649461D+01 -0.154097D+01 -0.285826D+01  0.222452D+01 -0.363877D+00
      3   0.174363D+00  0.160808D+01  0.248184D+01  0.219891D+00 -0.248009D+00
                66            67            68            69            70 
      1   0.103972D+00 -0.320275D+00 -0.502557D+00 -0.265034D+00  0.300038D+00
      2   0.682545D-01 -0.491380D+00  0.739961D+00 -0.318875D+00 -0.346622D+01
      3  -0.299160D+00  0.179910D+01  0.317375D-01 -0.130871D+00 -0.229796D-01
                71            72            73            74            75 
      1   0.270186D+01  0.940613D+00  0.975537D+00 -0.967747D+00 -0.109808D+01
      2   0.138496D-01  0.244765D+01  0.161054D+01  0.538002D+00  0.197503D+01
      3  -0.484319D+00  0.435902D+00  0.107137D+01 -0.166004D+01 -0.123237D+01
                76            77            78            79            80 
      1  -0.714552D+00  0.107780D+00 -0.154341D+00 -0.185611D+01  0.162484D+01
      2  -0.131915D+00  0.109349D+01  0.416061D+00 -0.429356D+01 -0.512983D+00
      3   0.273754D-01  0.217185D+00 -0.481174D+00 -0.324805D+01 -0.587116D+00
                81            82            83            84            85 
      1   0.602107D+01 -0.102204D+01 -0.329345D+00 -0.792878D+00 -0.692446D+00
      2   0.427620D+01  0.171070D-01  0.684868D+00  0.162098D+01  0.833694D+00
      3   0.304075D+01  0.269024D+01 -0.261947D+00  0.765941D-02  0.558589D+01
                86            87            88            89            90 
      1  -0.341395D+01 -0.291186D+01 -0.836131D+00 -0.103480D+01 -0.181963D+00
      2   0.113268D+01 -0.422185D+00 -0.860281D+00 -0.289358D+00 -0.593568D+00
      3   0.618806D+01  0.878017D+00  0.240192D+01  0.164312D+01  0.132487D+01
                91            92            93            94            95 
      1   0.720649D+00  0.663175D+00  0.892819D+00  0.549245D+00  0.917955D+00
      2  -0.717647D+00 -0.800609D+00 -0.149003D+01 -0.577361D+00 -0.101505D+01
      3   0.866283D+01  0.993978D+01  0.125835D+00  0.129325D+02  0.175407D+02
                96            97            98            99           100 
      1  -0.112268D+01  0.100061D+01  0.114991D+01  0.916428D-01  0.192995D+01
      2  -0.260718D+01 -0.180125D+01 -0.181927D+01 -0.909557D-01  0.137873D+01
      3   0.671771D+00 -0.257992D+00 -0.408668D+00 -0.606374D-02  0.655186D+01
               101           102           103           104           105 
      1   0.183698D+01 -0.338125D+01  0.196201D+01  0.232708D+01 -0.311364D+01
      2  -0.149191D+00 -0.116352D+00  0.207115D+00  0.546382D+00  0.525010D+00
      3   0.313098D+01 -0.198768D+01  0.704816D+01  0.403348D+01 -0.241398D+01
               106           107           108           109           110 
      1  -0.296202D+01 -0.198764D+01  0.346973D+01 -0.134831D+01 -0.498511D+00
      2  -0.195979D+01  0.807789D-01 -0.223460D+00 -0.168995D+01  0.263608D+00
      3  -0.599913D+01 -0.288283D+01  0.311490D+01  0.219570D+01  0.639397D+00
               111           112           113           114           115 
      1  -0.311051D+01 -0.405696D+00 -0.166897D+01 -0.210006D+01 -0.372624D+01
      2  -0.438745D+00  0.219410D-01 -0.473913D+00  0.333573D+00 -0.306148D+01
      3   0.114805D+01  0.202314D+01  0.682823D+00  0.104776D+01  0.470974D+01
               116           117           118           119           120 
      1  -0.156704D+01 -0.103535D+02  0.397463D+00  0.213065D+00  0.140930D+01
      2  -0.263118D+00 -0.187901D+01  0.465974D+01 -0.245752D+01  0.592911D+01
      3   0.119478D+01  0.433092D+01  0.787869D+01 -0.104053D+02  0.197353D+01
               121           122           123           124           125 
      1  -0.519177D+00 -0.189726D+00 -0.342155D+01  0.243121D+00  0.936865D+00
      2  -0.399088D+01  0.587466D+01 -0.705037D+01  0.238458D+01 -0.247166D+01
      3  -0.901801D+01  0.156995D+02 -0.512659D+01  0.349038D+01 -0.785005D+01
               126 
      1   0.103538D+01
      2   0.279102D+01
      3   0.228959D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.425656D+02 -0.510261D+01  0.213802D+01 -0.101245D+02  0.768811D+01
      2   0.235727D+02  0.303511D+01 -0.271480D+01  0.583370D+01 -0.103046D+02
      3   0.189929D+02  0.206750D+01  0.576782D+00  0.429079D+01  0.261644D+01
      4  -0.479154D+01 -0.586349D+01 -0.239344D+01  0.686827D+01  0.145194D+01
      5   0.651061D+01 -0.187835D+01 -0.997794D+01  0.412942D+01  0.130616D+01
      6  -0.331495D+01  0.188172D+01 -0.138472D+01  0.106985D+01 -0.407687D+01
                 6             7             8             9            10 
      1   0.618626D+01  0.624360D+01  0.545986D+01  0.150151D+02  0.654108D+02
      2  -0.554141D+01 -0.652771D+01 -0.522715D+01 -0.181005D+01 -0.383333D+02
      3  -0.644853D+00  0.284103D+00 -0.232708D+00 -0.132050D+02 -0.270775D+02
      4   0.826046D+00  0.302299D+01  0.495118D+01  0.107283D+01  0.273450D+02
      5  -0.428019D+01  0.787001D+01  0.184250D+01 -0.423998D+01 -0.166926D+02
      6   0.302904D+01 -0.249804D+01  0.166277D+01  0.509757D+01  0.407810D+01
                11            12            13            14            15 
      1   0.259812D+02 -0.152447D+02  0.368321D+02 -0.953136D+01  0.108768D+01
      2  -0.133640D+02  0.589443D+01 -0.189011D+02  0.119958D+02  0.193177D+01
      3  -0.126172D+02  0.935032D+01 -0.179310D+02 -0.246448D+01 -0.301945D+01
      4   0.718455D+01  0.736225D+01  0.106175D+02  0.305650D+02 -0.149135D+02
      5   0.651915D+01  0.213294D+02  0.728969D+01 -0.143895D+02  0.116058D+02
      6  -0.165291D+01  0.327431D+00 -0.350542D+01  0.724660D+01  0.144456D+02
                16            17            18            19            20 
      1  -0.187690D+02  0.137387D+00 -0.257899D+01 -0.971056D+00 -0.108189D+01
      2   0.816937D+01 -0.273766D+00 -0.175239D+02  0.347741D+01  0.263818D-01
      3   0.105996D+02  0.136379D+00  0.201029D+02 -0.250635D+01  0.105551D+01
      4   0.844101D+01 -0.166454D+02  0.565070D+01 -0.391479D+01  0.518004D+01
      5   0.288205D+02  0.660591D+01 -0.571155D+01  0.528952D+00  0.579311D+00
      6   0.549879D+00  0.121787D+02  0.628653D+01  0.819552D+00 -0.167222D+01
                21            22            23            24            25 
      1  -0.106049D+01  0.506944D+01  0.416059D+01  0.678928D+00 -0.615477D+01
      2  -0.486077D+00 -0.203794D+01 -0.750212D+01 -0.241026D+00  0.261882D+01
      3   0.154656D+01 -0.303150D+01  0.334152D+01 -0.437902D+00  0.353595D+01
      4   0.322243D+00 -0.781897D+01  0.668414D+01  0.694115D+00 -0.156028D+01
      5   0.190865D+01  0.331523D+00  0.116244D+01  0.403616D+01 -0.131428D+01
      6  -0.718236D-02 -0.152168D+01 -0.596717D-01 -0.298905D+01  0.155526D+00
                26            27            28            29            30 
      1   0.808425D+00  0.617303D+01  0.173769D+02  0.474284D+01  0.907596D+00
      2  -0.359212D+01  0.851283D+01 -0.131944D+02 -0.779204D+01  0.247364D+01
      3   0.278370D+01 -0.146859D+02 -0.418249D+01  0.304920D+01 -0.338124D+01
      4  -0.116131D+01  0.195623D+00 -0.404788D+01 -0.198842D+01  0.131517D+01
      5  -0.730432D+00 -0.168397D+01  0.359800D+00  0.660625D+00  0.439366D+01
      6   0.873233D+00  0.125659D+01  0.286397D+01  0.267864D+01 -0.964830D+01
                31            32            33            34            35 
      1   0.199966D+01 -0.144931D+02 -0.245419D+01 -0.157886D+01 -0.164201D+01
      2  -0.713490D+01  0.234524D+02  0.482356D+01  0.360400D+01  0.585765D+01
      3   0.513525D+01 -0.895932D+01 -0.236937D+01 -0.202514D+01 -0.421564D+01
      4   0.346648D+01 -0.113332D+02  0.545108D+00  0.221622D+01  0.159742D+01
      5   0.393302D+00 -0.314573D+00 -0.279654D+01  0.367717D+01 -0.271380D+01
      6   0.244478D+01  0.578000D+01  0.155702D+01 -0.102126D+02 -0.184402D+01
                36            37            38            39            40 
      1   0.331028D+01 -0.653492D+01  0.120947D+02  0.343552D+00 -0.678894D+00
      2  -0.273278D+01  0.174957D+01 -0.113333D+02 -0.277770D+01 -0.423801D+01
      3  -0.577500D+00  0.478534D+01 -0.761448D+00  0.243415D+01  0.491690D+01
      4  -0.778724D+01  0.718734D+01 -0.136992D+02 -0.129224D+01 -0.249762D+02
      5  -0.886726D-01 -0.108195D+00 -0.204547D+01 -0.845516D+01 -0.349482D+01
      6  -0.809118D+01 -0.545028D+00 -0.624341D+00  0.166997D+01 -0.777503D+00
                41            42            43            44            45 
      1   0.576524D+01  0.909482D+00  0.371516D+01 -0.248661D+01 -0.508087D+01
      2  -0.174942D+02  0.960400D+00 -0.365285D+01  0.819047D+00 -0.586526D+01
      3   0.117290D+02 -0.186988D+01 -0.623007D-01  0.166757D+01  0.109461D+02
      4  -0.286040D+02 -0.822602D+00 -0.235820D+01  0.151840D+01 -0.227142D+01
      5  -0.174288D+01 -0.207719D+01  0.230901D+01 -0.192492D+01  0.377836D+01
      6  -0.218599D+01 -0.135575D+02 -0.531124D+00  0.366664D+01 -0.100449D+01
                46            47            48            49            50 
      1   0.126356D+02  0.716606D+01 -0.100307D-01  0.113341D+02 -0.216576D+02
      2  -0.221128D+01  0.214596D+01  0.311514D+00  0.182973D+01  0.422355D+02
      3  -0.104243D+02 -0.931201D+01 -0.301483D+00 -0.131638D+02 -0.205779D+02
      4   0.204178D+02  0.244847D+02  0.154851D+01  0.286073D+02  0.568831D+02
      5   0.160071D+01  0.188111D+01  0.862124D+01  0.193751D+01  0.290526D+01
      6   0.878365D+00  0.906488D+00  0.369634D+01  0.147874D+01  0.252224D+01
                51            52            53            54            55 
      1  -0.171048D+01 -0.232307D-01 -0.658204D+00 -0.349590D+01  0.547808D+02
      2   0.439292D+00  0.623499D+00 -0.135992D+00  0.273657D+01 -0.328024D+02
      3   0.127119D+01 -0.600268D+00  0.794195D+00  0.759330D+00 -0.219784D+02
      4   0.197947D+01  0.733972D+00  0.446326D+00  0.136389D+02 -0.216859D+02
      5   0.106476D+02  0.102444D+02  0.137603D+02  0.129619D+01 -0.308069D+01
      6   0.168891D+02  0.442943D+01  0.141452D+02  0.133048D+01  0.547219D+00
                56            57            58            59            60 
      1  -0.967157D+01 -0.132233D+01  0.612633D+01  0.126444D+02 -0.777386D+00
      2   0.316525D+01  0.219415D+01 -0.681762D+01 -0.449300D+01 -0.949984D-01
      3   0.650632D+01 -0.871823D+00  0.691287D+00 -0.815139D+01  0.872384D+00
      4   0.204870D+02  0.154532D+01  0.213247D+02 -0.419033D+01 -0.116228D+01
      5   0.114865D+01  0.175318D+02 -0.243811D+00 -0.131937D+01 -0.432071D+01
      6  -0.152107D+00 -0.480306D+01 -0.815436D+00  0.508371D+00  0.779240D+01
                61            62            63            64            65 
      1  -0.201256D+01  0.107306D+01  0.688340D+01  0.143663D+01  0.238555D+00
      2   0.228253D+01 -0.293452D+00 -0.899315D+01 -0.370317D+01 -0.887737D-01
      3  -0.269969D+00 -0.779606D+00  0.210975D+01  0.226654D+01 -0.149781D+00
      4   0.182653D+01 -0.154486D+01 -0.618176D+01 -0.136693D+00  0.503269D+00
      5   0.162675D+02 -0.680638D+01 -0.560815D+01 -0.169465D+00 -0.265303D+00
      6  -0.199296D+01  0.512405D+01  0.111353D+01 -0.392713D+00  0.237341D+00
                66            67            68            69            70 
      1   0.121566D+01  0.359263D+00 -0.439718D+01 -0.214301D+00  0.129535D+01
      2   0.588175D+00  0.456656D+00  0.953542D+00 -0.832454D+00  0.941047D+00
      3  -0.180383D+01 -0.815920D+00  0.344364D+01  0.104675D+01 -0.223640D+01
      4  -0.462944D+00  0.217166D+01 -0.796030D+00  0.292066D+00  0.102799D+01
      5   0.396451D+01  0.198273D+00  0.739625D-01 -0.381924D+00  0.401285D+01
      6   0.225038D+00  0.212253D+00  0.444416D+00  0.603256D+01  0.124737D+00
                71            72            73            74            75 
      1   0.154254D+01 -0.175461D+02  0.189027D+01 -0.319512D+00  0.339939D+01
      2  -0.925505D+00 -0.123128D+02 -0.399161D+01  0.856190D-01  0.802404D+00
      3  -0.617039D+00  0.298589D+02  0.210134D+01  0.233893D+00 -0.420180D+01
      4   0.796074D+00 -0.390265D+00  0.243825D+00  0.232114D+01 -0.778268D+00
      5   0.108087D+00  0.130537D+01 -0.186996D+01  0.140943D-01  0.675332D+01
      6   0.400098D+01 -0.251284D+01 -0.557099D+00 -0.925720D+00  0.129023D+01
                76            77            78            79            80 
      1   0.244009D+01 -0.494180D+01  0.165299D+01  0.111454D+02  0.523064D+01
      2  -0.882728D+00  0.248225D+01 -0.131128D+01 -0.194577D+01 -0.116080D+01
      3  -0.155736D+01  0.245955D+01 -0.341711D+00 -0.919963D+01 -0.406984D+01
      4   0.178871D+00  0.196047D-01  0.838370D+00 -0.194330D+01  0.514082D+00
      5  -0.461175D+00  0.813920D+00  0.547289D+00  0.181997D+01 -0.213242D+01
      6  -0.926499D+00 -0.204914D+01  0.477955D+01  0.242947D+01  0.576097D+01
                81            82            83            84            85 
      1  -0.243661D+02  0.247205D+01 -0.125077D+01 -0.185653D+00 -0.786443D+01
      2  -0.619078D+01  0.845880D+00  0.152998D+01  0.822271D+00  0.701384D+01
      3   0.305569D+02 -0.331793D+01 -0.279207D+00 -0.636618D+00  0.850589D+00
      4  -0.628268D+00  0.138096D+01  0.478874D+01  0.115818D+01  0.244051D+01
      5   0.521733D+01  0.336581D+00  0.605219D+00  0.208280D+01 -0.445982D+00
      6  -0.112968D+02  0.135645D+01  0.880777D-01  0.227365D+00 -0.507869D-01
                86            87            88            89            90 
      1  -0.197174D+02 -0.645188D+00 -0.434598D+01 -0.390993D+01 -0.489713D+01
      2   0.281326D+02  0.237269D+01  0.354595D+01  0.502520D+01  0.295101D+01
      3  -0.841519D+01 -0.172750D+01  0.800032D+00 -0.111527D+01  0.194612D+01
      4  -0.750801D+01  0.109186D+00  0.511717D+00 -0.213189D+01 -0.907982D+00
      5  -0.225591D+00 -0.860959D+00  0.386297D+00 -0.112103D+01 -0.818514D+00
      6   0.580024D+00  0.393175D+01  0.104767D+01  0.494303D+01  0.115679D+01
                91            92            93            94            95 
      1  -0.143603D+02 -0.381130D+01  0.150956D+00 -0.176685D+02 -0.647214D+01
      2   0.115146D+02  0.401227D+00 -0.146010D+00  0.942016D+01  0.984417D+01
      3   0.284573D+01  0.341007D+01 -0.494644D-02  0.824833D+01 -0.337204D+01
      4  -0.345057D+01 -0.674526D+00 -0.393666D+00  0.703836D+01 -0.194308D+02
      5   0.972943D+00  0.182313D+00 -0.178336D+01  0.145073D+01 -0.368581D+00
      6  -0.152186D+00 -0.149560D+00 -0.186655D+01 -0.257404D+00  0.743105D+00
                96            97            98            99           100 
      1   0.193188D+00  0.712228D+00 -0.163081D+00 -0.586832D+00 -0.206149D+01
      2  -0.129021D+00 -0.392883D+00  0.661690D-01 -0.550120D-01  0.513788D+01
      3  -0.641675D-01 -0.319344D+00  0.969120D-01  0.641844D+00 -0.307640D+01
      4  -0.954488D+00  0.307080D-01 -0.343930D+00 -0.281913D+01  0.605400D+01
      5  -0.463433D+01  0.328493D+01 -0.257902D+01 -0.416882D+00 -0.187336D+01
      6   0.175402D+01 -0.165911D+01  0.255220D+01  0.234409D+00 -0.461997D+01
               101           102           103           104           105 
      1  -0.734039D+01  0.187970D+01 -0.476121D+01 -0.104479D+02  0.337222D+01
      2   0.115194D+02 -0.333662D+01  0.764414D+01  0.166902D+02 -0.560332D+01
      3  -0.417903D+01  0.145692D+01 -0.288293D+01 -0.624223D+01  0.223110D+01
      4   0.805360D+01 -0.309932D+01  0.834989D+01  0.698254D+01 -0.298694D+01
      5  -0.167698D+01  0.195100D+01 -0.348701D+00 -0.151377D+01  0.127608D+01
      6  -0.548091D+01  0.597313D+01 -0.444652D+01 -0.745912D+01  0.652722D+01
               106           107           108           109           110 
      1   0.271708D+01  0.668387D+01 -0.613737D+01 -0.119722D+01 -0.331705D+01
      2  -0.361142D+01 -0.830723D+01  0.430784D+01  0.785912D+00  0.372059D+01
      3   0.894336D+00  0.162336D+01  0.182953D+01  0.411306D+00 -0.403540D+00
      4  -0.494989D+01 -0.392972D+01  0.412610D+01  0.112559D+01  0.331114D+01
      5   0.202861D+01  0.170484D+01 -0.196614D+01  0.138499D+01  0.987864D+00
      6   0.557122D+01  0.935807D+01 -0.803919D+01  0.236455D+01  0.328480D+01
               111           112           113           114           115 
      1  -0.249050D+01 -0.600443D+00 -0.388627D+01 -0.221360D+01 -0.146248D+01
      2   0.100584D+01  0.100421D+01  0.452685D+01  0.273663D+01 -0.380369D+00
      3   0.148466D+01 -0.403762D+00 -0.640583D+00 -0.523035D+00  0.184285D+01
      4   0.211072D+01  0.364426D+01  0.208124D+01  0.171939D+01  0.465048D+01
      5   0.197431D+01  0.239802D+00  0.981019D+00  0.135722D+01  0.231434D+01
      6   0.575497D+01  0.224343D+01  0.333865D+01  0.584062D+01  0.568315D+01
               116           117           118           119           120 
      1  -0.643686D+01 -0.968457D+01  0.342686D+02 -0.191416D+02  0.884066D+01
      2   0.520146D+01 -0.863751D+00 -0.141384D+02  0.735519D+01 -0.391211D+01
      3   0.123541D+01  0.105483D+02 -0.201303D+02  0.117864D+02 -0.492855D+01
      4   0.189204D+01  0.385409D+01 -0.263371D+02  0.228885D+02 -0.675380D+01
      5   0.107371D+01  0.181769D+01  0.110210D+02 -0.652352D+01  0.101409D+02
      6   0.843536D+01  0.185195D+02 -0.332627D+01  0.158070D+01 -0.145466D+01
               121           122           123           124           125 
      1  -0.220564D+02  0.139683D+02 -0.619142D+01  0.923712D+01 -0.576489D+01
      2   0.599652D+01  0.211667D+01  0.740777D+00 -0.455510D+01  0.282068D+01
      3   0.160599D+02 -0.160850D+02  0.545064D+01 -0.468202D+01  0.294421D+01
      4   0.300233D+02 -0.334152D+02  0.127574D+02 -0.116500D+02  0.140416D+02
      5  -0.109758D+02  0.126315D+02 -0.101183D+02  0.102145D+02 -0.769738D+01
      6   0.377353D+01 -0.514391D+01  0.440284D+01 -0.370729D+01  0.611984D+01
               126 
      1   0.270200D+01
      2  -0.245085D+01
      3  -0.251147D+00
      4  -0.755216D+01
      5   0.604027D+01
      6  -0.386218D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:30:10 2021, MaxMem=  5637144576 cpu:            4424.9 elap:             554.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.25404 -18.98299 -18.93019 -14.19876 -10.19632
 Alpha  occ. eigenvalues --  -10.13519 -10.11402  -7.87886  -5.90183  -5.89749
 Alpha  occ. eigenvalues --   -5.88926  -1.21580  -1.13197  -1.05059  -0.93270
 Alpha  occ. eigenvalues --   -0.85285  -0.76048  -0.71815  -0.67867  -0.63835
 Alpha  occ. eigenvalues --   -0.60562  -0.57690  -0.56243  -0.55191  -0.53821
 Alpha  occ. eigenvalues --   -0.49595  -0.48099  -0.45078  -0.42919  -0.42211
 Alpha  occ. eigenvalues --   -0.37323  -0.36049
 Alpha virt. eigenvalues --    0.02077   0.03559   0.04078   0.04755   0.05994
 Alpha virt. eigenvalues --    0.06576   0.06821   0.07630   0.08980   0.10394
 Alpha virt. eigenvalues --    0.10727   0.11482   0.11800   0.12989   0.13744
 Alpha virt. eigenvalues --    0.14375   0.14676   0.15027   0.15317   0.16235
 Alpha virt. eigenvalues --    0.16479   0.17459   0.18240   0.18456   0.18879
 Alpha virt. eigenvalues --    0.20025   0.21190   0.22733   0.23093   0.24562
 Alpha virt. eigenvalues --    0.25265   0.26481   0.27378   0.28008   0.28339
 Alpha virt. eigenvalues --    0.28597   0.29145   0.30616   0.31145   0.32238
 Alpha virt. eigenvalues --    0.33401   0.34132   0.34496   0.36098   0.37058
 Alpha virt. eigenvalues --    0.38372   0.38466   0.39745   0.40891   0.41537
 Alpha virt. eigenvalues --    0.42034   0.42836   0.43076   0.44547   0.46050
 Alpha virt. eigenvalues --    0.47075   0.47780   0.48795   0.49348   0.50094
 Alpha virt. eigenvalues --    0.51214   0.51711   0.53143   0.53858   0.55258
 Alpha virt. eigenvalues --    0.55676   0.57379   0.58902   0.59352   0.59776
 Alpha virt. eigenvalues --    0.61887   0.62812   0.63402   0.64395   0.65353
 Alpha virt. eigenvalues --    0.66671   0.67423   0.69354   0.70505   0.71219
 Alpha virt. eigenvalues --    0.72045   0.72628   0.74912   0.76417   0.77150
 Alpha virt. eigenvalues --    0.78544   0.79026   0.80337   0.82586   0.84803
 Alpha virt. eigenvalues --    0.85417   0.86978   0.89394   0.90123   0.91086
 Alpha virt. eigenvalues --    0.93315   0.94166   0.96260   0.97060   0.98458
 Alpha virt. eigenvalues --    1.00909   1.01459   1.04822   1.05418   1.06486
 Alpha virt. eigenvalues --    1.07048   1.09715   1.10439   1.12915   1.13660
 Alpha virt. eigenvalues --    1.15325   1.17006   1.19180   1.19881   1.20846
 Alpha virt. eigenvalues --    1.22540   1.24080   1.24933   1.27304   1.31952
 Alpha virt. eigenvalues --    1.34523   1.34780   1.37287   1.38060   1.41179
 Alpha virt. eigenvalues --    1.44957   1.47631   1.50393   1.53415   1.56720
 Alpha virt. eigenvalues --    1.60279   1.60940   1.62577   1.64944   1.68056
 Alpha virt. eigenvalues --    1.69068   1.71829   1.73374   1.76474   1.77931
 Alpha virt. eigenvalues --    1.78110   1.81699   1.82493   1.84763   1.90431
 Alpha virt. eigenvalues --    1.90739   1.92457   1.95621   1.97906   1.99512
 Alpha virt. eigenvalues --    1.99836   2.06414   2.07250   2.09899   2.12526
 Alpha virt. eigenvalues --    2.14863   2.17489   2.18837   2.19702   2.22522
 Alpha virt. eigenvalues --    2.23407   2.25316   2.29083   2.32543   2.34614
 Alpha virt. eigenvalues --    2.35166   2.38243   2.44636   2.44735   2.49176
 Alpha virt. eigenvalues --    2.55234   2.60081   2.61174   2.68806   2.69872
 Alpha virt. eigenvalues --    2.72960   2.76886   2.82490   2.86847   2.91929
 Alpha virt. eigenvalues --    3.03007   3.08213   3.10410   3.20358   3.38097
 Alpha virt. eigenvalues --    3.40104   3.43288   3.44534   3.47252   3.50669
 Alpha virt. eigenvalues --    3.53678   3.54712   3.63577   3.77737   3.87624
 Alpha virt. eigenvalues --    4.03322
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.928083   0.239448   0.433842  -0.097436  -0.214303  -0.003829
     2  S    0.239448  15.718574  -0.141115   0.036264  -0.055906   0.006733
     3  C    0.433842  -0.141115   6.039069   0.156415  -0.878463   0.052017
     4  N   -0.097436   0.036264   0.156415   6.594600  -0.029788  -0.004911
     5  C   -0.214303  -0.055906  -0.878463  -0.029788   6.803627   0.194176
     6  O   -0.003829   0.006733   0.052017  -0.004911   0.194176   8.270510
     7  O   -0.023871   0.004427   0.263885  -0.069054  -0.261563  -0.074928
     8  H   -0.095567  -0.019809   0.086139  -0.060830  -0.159739   0.007303
     9  H    0.307022  -0.168884  -0.068197  -0.096968   0.010862   0.011985
    10  H    0.139218  -0.102949   0.110262   0.027260  -0.097448  -0.009814
    11  H    0.006929  -0.004971  -0.169394   0.088413   0.010002   0.012363
    12  H    0.009318  -0.012312   0.039380   0.306394  -0.014398   0.001024
    13  H   -0.095805  -0.009819  -0.114471   0.419313   0.041889   0.001421
    14  H   -0.008305   0.244229   0.030175  -0.001756   0.002152   0.000734
               7          8          9         10         11         12
     1  C   -0.023871  -0.095567   0.307022   0.139218   0.006929   0.009318
     2  S    0.004427  -0.019809  -0.168884  -0.102949  -0.004971  -0.012312
     3  C    0.263885   0.086139  -0.068197   0.110262  -0.169394   0.039380
     4  N   -0.069054  -0.060830  -0.096968   0.027260   0.088413   0.306394
     5  C   -0.261563  -0.159739   0.010862  -0.097448   0.010002  -0.014398
     6  O   -0.074928   0.007303   0.011985  -0.009814   0.012363   0.001024
     7  O    8.306382   0.012425  -0.006451   0.005979   0.225392   0.003934
     8  H    0.012425   1.473336   0.089291  -0.053424  -0.003141  -0.093432
     9  H   -0.006451   0.089291   1.443370  -0.251908   0.000487  -0.001386
    10  H    0.005979  -0.053424  -0.251908   1.613169  -0.001027  -0.000859
    11  H    0.225392  -0.003141   0.000487  -0.001027   0.641953  -0.001441
    12  H    0.003934  -0.093432  -0.001386  -0.000859  -0.001441   0.858464
    13  H   -0.003851   0.028119   0.003975   0.005443  -0.006571  -0.151035
    14  H    0.000154  -0.000802  -0.033039  -0.054876   0.000232  -0.001055
              13         14
     1  C   -0.095805  -0.008305
     2  S   -0.009819   0.244229
     3  C   -0.114471   0.030175
     4  N    0.419313  -0.001756
     5  C    0.041889   0.002152
     6  O    0.001421   0.000734
     7  O   -0.003851   0.000154
     8  H    0.028119  -0.000802
     9  H    0.003975  -0.033039
    10  H    0.005443  -0.054876
    11  H   -0.006571   0.000232
    12  H   -0.151035  -0.001055
    13  H    0.827420  -0.002433
    14  H   -0.002433   0.795263
 Mulliken charges:
               1
     1  C    0.475256
     2  S    0.266091
     3  C    0.160456
     4  N   -0.267916
     5  C    0.648899
     6  O   -0.464784
     7  O   -0.382860
     8  H   -0.209868
     9  H   -0.240160
    10  H   -0.329024
    11  H    0.200775
    12  H    0.057404
    13  H    0.056404
    14  H    0.029327
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.093928
     2  S    0.295418
     3  C   -0.049412
     4  N   -0.154108
     5  C    0.648899
     6  O   -0.464784
     7  O   -0.182085
 Electronic spatial extent (au):  <R**2>=           1122.8523
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1589    Y=              2.4005    Z=              0.5292  Tot=              4.0027
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.1327   YY=            -49.2407   ZZ=            -47.7298
   XY=             -7.1365   XZ=              1.9274   YZ=             -1.2678
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.7650   YY=              3.1270   ZZ=              4.6380
   XY=             -7.1365   XZ=              1.9274   YZ=             -1.2678
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.0265  YYY=             14.0994  ZZZ=              1.9648  XYY=              9.6175
  XXY=             -0.3543  XXZ=              2.9134  XZZ=             -7.0003  YZZ=              2.8564
  YYZ=              1.2133  XYZ=             -3.4823
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1092.0043 YYYY=           -303.0701 ZZZZ=            -80.9865 XXXY=            -52.3731
 XXXZ=             14.5939 YYYX=            -16.9238 YYYZ=             -2.2575 ZZZX=              3.6968
 ZZZY=              0.5989 XXYY=           -229.1183 XXZZ=           -200.0522 YYZZ=            -60.9684
 XXYZ=            -10.2298 YYXZ=             -0.9745 ZZXY=              1.5663
 N-N= 3.753095290542D+02 E-N=-2.453458881284D+03  KE= 7.182275346745D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:30:11 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.21607776D+00 9.86678596D-01 1.93886885D-01
 Polarizability= 8.45435484D+01-5.18949529D-01 6.92905829D+01
                -1.26238138D+00-1.20960886D+00 5.15915402D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5388    0.5393       -0.3048   -0.3050
 2     -0.5388   -0.5393       -0.0941   -0.0944       -7.4792   -7.4794
 3      0.3048    0.3050       15.7513   15.7503        0.0949    0.0944
 4      0.0941    0.0944       -0.0000    0.0000        0.3057    0.3050
 5     -8.2721   -8.2709       -0.3057   -0.3050        0.5388    0.5393
 6     -0.0949   -0.0944       -0.5388   -0.5393        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.6180   -1.6180       -0.9150   -0.9150
 2      0.2831    0.2831        0.0000    0.0000       -0.9150   -0.9150
 3      0.2831    0.2831       -1.6180   -1.6180        0.0000    0.0000
 4     -1.6180   -1.6180       -0.2831   -0.2831      -22.4382  -22.4382
 5      0.9150    0.9150       47.2510   47.2510        0.2831    0.2831
 6    -24.8128  -24.8128       -0.9150   -0.9150        1.6180    1.6180
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0105    0.0000       -2.1499   -2.1573        1.2287    1.2201
 2      2.1454    2.1573        0.3860    0.3774       29.8922   29.9175
 3     -1.2181   -1.2201      -63.0005  -63.0013       -0.3508   -0.3774
 4     -0.3841   -0.3774       -0.0068    0.0000       -1.2060   -1.2201
 5     33.1097   33.0838        1.2058    1.2201       -2.0944   -2.1573
 6      0.4019    0.3774        2.1807    2.1573        0.0227    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0042    0.0000        4.2519    4.2552       -0.3716   -0.3866
 2     -4.2814   -4.2552       21.8120   21.8285        3.0043    2.9693
 3      0.3842    0.3866        3.2547    3.2715      -21.8418  -21.8285
 4    -21.7948  -21.8285       -0.0264    0.0000        0.4633    0.3866
 5     -6.1339   -6.2409       -0.2669   -0.3866        4.2280    4.2552
 6     21.7827   21.8285       -4.2303   -4.2552       -0.1071    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -15.1700  -15.1692       10.5674   10.5738        2.8938    2.8735
 2    -49.0754  -49.1329       10.0300   10.0794        3.0581    2.8735
 3    -49.0755  -49.1329       10.5258   10.5738        2.7419    2.5545
 4      0.5030    0.4944       34.0553   33.9638        3.4960    3.4751
 5     -0.3024   -0.3190       12.6667   12.6699      -33.9988  -33.9638
 6    -15.9900  -16.1450        0.4936    0.3190       -0.6283   -0.4944
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6402   -1.7210   -0.0022    0.0019    0.0022    2.8376
 Low frequencies ---   57.7823   85.9710  149.5115
 Diagonal vibrational polarizability:
       30.3231678      35.5794663      59.7040582
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7814                85.9707               149.5113
 Red. masses --      4.0156                 3.4105                 1.1495
 Frc consts  --      0.0079                 0.0149                 0.0151
 IR Inten    --      1.3810                15.1257                11.7826
 RamAct Fr= 1--      0.3839                 0.1619                 0.8296
  Dep-P Fr= 1--      0.7434                 0.7461                 0.6319
  Dep-U Fr= 1--      0.8528                 0.8546                 0.7744
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0018
 Beta2  Fr= 1--      0.0546                 0.0231                 0.1071
 AlphaG Fr= 1--     -0.0007                 0.0001                -0.0030
 Gamma2 Fr= 1--      0.2000                 0.2406                 0.0978
 Delta2 Fr= 1--      0.1367                 0.1408                 0.0071
 Raman1 Fr= 1--       1.536                  0.648                  3.319
 ROA1   Fr= 1--      23.575                 27.607                  9.612
 CID1   Fr= 1--      15.353                 42.629                  2.897
 Raman2 Fr= 1--       0.655                  0.277                  1.285
 ROA2   Fr= 1--       3.706                  4.649                  2.289
 CID2   Fr= 1--       5.660                 16.799                  1.782
 Raman3 Fr= 1--       1.309                  0.553                  2.570
 ROA3   Fr= 1--      23.575                 27.607                  9.612
 CID3   Fr= 1--      18.003                 49.882                  3.740
 RC180  Fr= 1--       0.706                  0.709                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04     0.00   0.15   0.21     0.01  -0.05  -0.05
     2  16    -0.01  -0.00   0.06     0.01  -0.12  -0.11    -0.01   0.01  -0.02
     3   6    -0.01  -0.02  -0.09     0.01   0.08   0.10     0.00  -0.02  -0.01
     4   7     0.01   0.01  -0.21    -0.10   0.09   0.07     0.02  -0.03   0.03
     5   6    -0.00  -0.01  -0.02     0.02  -0.00  -0.02    -0.00  -0.00   0.00
     6   8    -0.04  -0.00  -0.21     0.08  -0.01  -0.10    -0.02   0.00   0.03
     7   8     0.07  -0.02   0.31    -0.04  -0.06  -0.04     0.02   0.02  -0.01
     8   1     0.01  -0.15  -0.07     0.10   0.05   0.11    -0.03   0.02  -0.02
     9   1    -0.07   0.15   0.04     0.11   0.43   0.22     0.01  -0.08  -0.05
    10   1    -0.02   0.01   0.14    -0.13   0.08   0.46     0.01  -0.04  -0.09
    11   1     0.09  -0.03   0.31    -0.08  -0.03   0.02     0.04   0.01  -0.00
    12   1    -0.24   0.01  -0.45    -0.14   0.12   0.05     0.03  -0.02   0.05
    13   1     0.31   0.12  -0.33    -0.09   0.13   0.06     0.04  -0.08   0.03
    14   1    -0.03   0.12   0.34    -0.01   0.15   0.49     0.08   0.49   0.84
                      4                      5                      6
                      A                      A                      A
 Frequencies --    173.0811               255.6427               282.7212
 Red. masses --      4.7350                10.9084                 1.1649
 Frc consts  --      0.0836                 0.4200                 0.0549
 IR Inten    --     12.4254                 2.8117                17.9164
 RamAct Fr= 1--      0.3747                 2.1454                 0.0758
  Dep-P Fr= 1--      0.7498                 0.2448                 0.7057
  Dep-U Fr= 1--      0.8570                 0.3933                 0.8275
 Alpha2 Fr= 1--      0.0000                 0.0258                 0.0001
 Beta2  Fr= 1--      0.0535                 0.1406                 0.0105
 AlphaG Fr= 1--     -0.0000                -0.0050                 0.0012
 Gamma2 Fr= 1--     -0.4888                 0.0367                -0.0509
 Delta2 Fr= 1--     -0.1612                 0.0052                -0.0116
 Raman1 Fr= 1--       1.499                  8.582                  0.303
 ROA1   Fr= 1--     -52.082                  3.690                 -5.261
 CID1   Fr= 1--     -34.753                  0.430                -17.348
 Raman2 Fr= 1--       0.642                  1.688                  0.125
 ROA2   Fr= 1--     -10.441                  0.840                 -1.130
 CID2   Fr= 1--     -16.258                  0.498                 -9.005
 Raman3 Fr= 1--       1.284                  3.375                  0.251
 ROA3   Fr= 1--     -52.082                  3.690                 -5.261
 CID3   Fr= 1--     -40.552                  1.093                -20.966
 RC180  Fr= 1--       0.714                 -0.213                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.25     0.18   0.11  -0.07    -0.00  -0.00  -0.02
     2  16    -0.06   0.13  -0.08     0.40  -0.01   0.02     0.01  -0.00   0.00
     3   6     0.05  -0.17   0.15    -0.07  -0.06   0.02    -0.01   0.01   0.02
     4   7     0.12  -0.14   0.04    -0.28  -0.05   0.01     0.03   0.01   0.06
     5   6    -0.03  -0.04   0.01    -0.19  -0.06   0.04    -0.01  -0.01   0.01
     6   8    -0.19  -0.00  -0.12    -0.41  -0.01  -0.02     0.00  -0.01   0.02
     7   8     0.07   0.09  -0.08    -0.08   0.07  -0.00    -0.02  -0.01  -0.06
     8   1     0.13  -0.27   0.16    -0.17  -0.03   0.00    -0.04   0.01   0.02
     9   1     0.18   0.13   0.26     0.26   0.12  -0.07     0.00  -0.05  -0.02
    10   1     0.14  -0.12   0.42     0.27   0.08  -0.02    -0.02   0.01  -0.06
    11   1     0.20   0.02   0.00     0.05   0.01   0.00     0.03  -0.03   0.17
    12   1     0.08  -0.20  -0.06    -0.35   0.04   0.02    -0.55   0.15  -0.36
    13   1     0.20  -0.07  -0.00    -0.32   0.00   0.02     0.67   0.06  -0.19
    14   1     0.19   0.18  -0.31     0.12  -0.14   0.12    -0.02  -0.03  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    352.0664               412.0506               525.2360
 Red. masses --      3.9563                 2.5607                 6.4353
 Frc consts  --      0.2889                 0.2562                 1.0460
 IR Inten    --     15.8941                 4.5872                 1.3518
 RamAct Fr= 1--      2.0207                 0.2444                 2.3594
  Dep-P Fr= 1--      0.1570                 0.6556                 0.7431
  Dep-U Fr= 1--      0.2715                 0.7920                 0.8526
 Alpha2 Fr= 1--      0.0307                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0914                 0.0323                 0.3353
 AlphaG Fr= 1--      0.0233                -0.0015                -0.0039
 Gamma2 Fr= 1--     -0.1775                -0.4122                 0.6674
 Delta2 Fr= 1--     -0.1735                -0.1041                 0.3769
 Raman1 Fr= 1--       8.083                  0.978                  9.438
 ROA1   Fr= 1--     -22.593                -42.902                 76.128
 CID1   Fr= 1--      -2.795                -43.881                  8.066
 Raman2 Fr= 1--       1.097                  0.387                  4.023
 ROA2   Fr= 1--      -2.872                 -9.059                 13.002
 CID2   Fr= 1--      -2.618                -23.400                  3.232
 Raman3 Fr= 1--       2.194                  0.774                  8.046
 ROA3   Fr= 1--     -22.593                -42.902                 76.128
 CID3   Fr= 1--     -10.297                -55.408                  9.461
 RC180  Fr= 1--      -0.457                  0.584                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05  -0.00     0.06  -0.16  -0.00     0.00  -0.13   0.08
     2  16    -0.06  -0.01   0.01    -0.02  -0.01  -0.00     0.06   0.02  -0.01
     3   6     0.03  -0.03  -0.13     0.02  -0.01   0.19    -0.06  -0.17  -0.08
     4   7    -0.24  -0.06   0.09    -0.15   0.09  -0.09    -0.16  -0.29   0.00
     5   6     0.07  -0.04  -0.09     0.04   0.02   0.10    -0.04   0.22  -0.04
     6   8    -0.01  -0.04   0.07     0.04   0.02  -0.06     0.30   0.17  -0.02
     7   8     0.29   0.11  -0.00     0.05   0.05  -0.03    -0.19   0.14   0.05
     8   1     0.15   0.08  -0.11    -0.02  -0.08   0.19    -0.00  -0.26  -0.07
     9   1    -0.12   0.17  -0.01     0.15  -0.55   0.01     0.01   0.08   0.08
    10   1    -0.05   0.02   0.11     0.00  -0.03  -0.38     0.14  -0.20   0.27
    11   1     0.56  -0.01   0.02     0.09   0.03  -0.08    -0.17   0.14   0.14
    12   1    -0.50   0.23   0.09    -0.20   0.01  -0.21    -0.38  -0.07  -0.01
    13   1    -0.14  -0.13   0.06    -0.25   0.41  -0.10    -0.02  -0.36  -0.04
    14   1    -0.06  -0.08  -0.12     0.13   0.08  -0.02     0.14   0.06  -0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    593.1435               698.1010               777.8703
 Red. masses --      3.5336                 5.8894                 5.3775
 Frc consts  --      0.7325                 1.6911                 1.9171
 IR Inten    --      9.3442                 8.2706                 2.3601
 RamAct Fr= 1--      1.8214                14.6489                 2.8621
  Dep-P Fr= 1--      0.2006                 0.1294                 0.5288
  Dep-U Fr= 1--      0.3342                 0.2292                 0.6918
 Alpha2 Fr= 1--      0.0247                 0.2385                 0.0123
 Beta2  Fr= 1--      0.1014                 0.5596                 0.3300
 AlphaG Fr= 1--      0.0212                 0.1068                 0.0083
 Gamma2 Fr= 1--      0.2380                 0.6080                -0.8528
 Delta2 Fr= 1--      0.1932                -0.1499                -0.0196
 Raman1 Fr= 1--       7.285                 58.596                 11.448
 ROA1   Fr= 1--      29.026                 53.575                -82.493
 CID1   Fr= 1--       3.984                  0.914                 -7.206
 Raman2 Fr= 1--       1.217                  6.715                  3.960
 ROA2   Fr= 1--       4.166                 15.793                -20.310
 CID2   Fr= 1--       3.422                  2.352                 -5.129
 Raman3 Fr= 1--       2.435                 13.430                  7.920
 ROA3   Fr= 1--      29.026                 53.575                -82.493
 CID3   Fr= 1--      11.921                  3.989                -10.416
 RC180  Fr= 1--      -0.332                 -0.542                  0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.14  -0.10     0.29   0.17  -0.15     0.34   0.13  -0.05
     2  16     0.02   0.00   0.01    -0.13  -0.05   0.04    -0.10  -0.04   0.03
     3   6    -0.20  -0.04   0.09     0.14  -0.03  -0.05     0.07  -0.01   0.03
     4   7     0.04  -0.05  -0.01    -0.04  -0.14  -0.02     0.06   0.01  -0.00
     5   6    -0.05  -0.06   0.23     0.20   0.07   0.27    -0.23  -0.07  -0.18
     6   8     0.12  -0.10  -0.10    -0.10   0.17  -0.06     0.09  -0.17   0.03
     7   8     0.07   0.13  -0.06    -0.04  -0.12  -0.07    -0.13   0.20   0.07
     8   1    -0.56  -0.09   0.04    -0.22  -0.07  -0.10     0.25   0.06   0.05
     9   1    -0.03   0.21  -0.09     0.20   0.33  -0.16     0.38  -0.09  -0.04
    10   1    -0.03   0.10   0.01     0.26   0.10   0.07     0.43   0.15  -0.17
    11   1     0.32   0.01  -0.04    -0.32   0.01   0.09     0.25   0.02  -0.05
    12   1     0.26  -0.28  -0.00    -0.22   0.11   0.05    -0.08   0.11  -0.02
    13   1     0.05  -0.11  -0.00    -0.13  -0.14   0.01    -0.13   0.16   0.04
    14   1    -0.32  -0.16   0.12    -0.28  -0.12   0.07    -0.24  -0.11   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    806.1996               851.9188               876.0685
 Red. masses --      1.8396                 1.3893                 1.2895
 Frc consts  --      0.7045                 0.5941                 0.5831
 IR Inten    --      9.3223               127.9718                73.0842
 RamAct Fr= 1--      8.3371                 3.6076                 3.0575
  Dep-P Fr= 1--      0.1029                 0.1891                 0.4628
  Dep-U Fr= 1--      0.1865                 0.3180                 0.6327
 Alpha2 Fr= 1--      0.1449                 0.0504                 0.0178
 Beta2  Fr= 1--      0.2592                 0.1912                 0.3224
 AlphaG Fr= 1--     -0.0370                 0.0742                -0.0487
 Gamma2 Fr= 1--      0.8225                -1.0231                 0.8086
 Delta2 Fr= 1--      0.6667                -0.0991                 0.0894
 Raman1 Fr= 1--      33.348                 14.430                 12.230
 ROA1   Fr= 1--     100.293               -101.387                 80.483
 CID1   Fr= 1--       3.007                 -7.026                  6.581
 Raman2 Fr= 1--       3.110                  2.295                  3.869
 ROA2   Fr= 1--      14.406                -23.760                 18.690
 CID2   Fr= 1--       4.632                -10.355                  4.830
 Raman3 Fr= 1--       6.221                  4.589                  7.738
 ROA3   Fr= 1--     100.293               -101.387                 80.483
 CID3   Fr= 1--      16.122                -22.093                 10.400
 RC180  Fr= 1--      -0.627                 -0.364                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.02     0.06   0.01   0.01    -0.06   0.02   0.03
     2  16    -0.01  -0.02   0.02    -0.01  -0.01   0.00     0.01   0.01  -0.01
     3   6     0.02   0.02  -0.12    -0.06  -0.04   0.00     0.06   0.03  -0.01
     4   7    -0.01   0.11   0.01    -0.08   0.08  -0.01     0.05  -0.05  -0.05
     5   6    -0.04  -0.04   0.12     0.02   0.02  -0.06    -0.01  -0.01   0.04
     6   8     0.01  -0.06  -0.03     0.00   0.03   0.02    -0.00  -0.02   0.00
     7   8    -0.04   0.05  -0.02     0.02  -0.02  -0.03    -0.03   0.02  -0.04
     8   1    -0.18   0.08  -0.14    -0.05  -0.07   0.01     0.09  -0.03  -0.00
     9   1    -0.02   0.32  -0.03     0.08  -0.08   0.02    -0.11  -0.14   0.03
    10   1    -0.06  -0.22   0.35     0.13   0.02  -0.04    -0.07   0.08  -0.15
    11   1     0.10  -0.01   0.13     0.03  -0.03   0.65     0.18  -0.08   0.80
    12   1     0.03   0.18   0.11     0.44  -0.35   0.07    -0.11   0.24   0.08
    13   1     0.01  -0.05   0.03     0.33  -0.26  -0.10    -0.36   0.06   0.08
    14   1     0.63   0.28  -0.22     0.01  -0.00  -0.02    -0.04  -0.01   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    911.5309               943.0372              1024.1978
 Red. masses --      1.4948                 1.6761                 1.9355
 Frc consts  --      0.7317                 0.8782                 1.1962
 IR Inten    --     38.1314                 7.3403                46.8308
 RamAct Fr= 1--      1.7789                 5.2574                 1.6635
  Dep-P Fr= 1--      0.5011                 0.3671                 0.7419
  Dep-U Fr= 1--      0.6677                 0.5370                 0.8518
 Alpha2 Fr= 1--      0.0087                 0.0436                 0.0002
 Beta2  Fr= 1--      0.1980                 0.4706                 0.2362
 AlphaG Fr= 1--      0.0022                -0.0009                -0.0039
 Gamma2 Fr= 1--      0.2406                -1.7743                 0.6000
 Delta2 Fr= 1--     -0.1227                -1.2475                 0.4614
 Raman1 Fr= 1--       7.116                 21.030                  6.654
 ROA1   Fr= 1--      19.169               -210.257                 72.367
 CID1   Fr= 1--       2.694                 -9.998                 10.876
 Raman2 Fr= 1--       2.375                  5.647                  2.834
 ROA2   Fr= 1--       6.756                -32.604                 10.710
 CID2   Fr= 1--       2.844                 -5.774                  3.779
 Raman3 Fr= 1--       4.751                 11.293                  5.668
 ROA3   Fr= 1--      19.169               -210.257                 72.367
 CID3   Fr= 1--       4.035                -18.618                 12.767
 RC180  Fr= 1--       0.335                  0.074                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.10     0.01   0.10  -0.04    -0.07   0.01  -0.10
     2  16     0.00   0.02   0.01    -0.01  -0.03   0.02     0.00   0.01   0.01
     3   6    -0.05  -0.02   0.08    -0.07   0.07   0.09     0.19   0.01   0.07
     4   7     0.04   0.01   0.00     0.02  -0.12  -0.02    -0.08  -0.04  -0.01
     5   6     0.00   0.02  -0.09    -0.00   0.01  -0.08     0.02  -0.03   0.02
     6   8     0.00   0.03   0.02    -0.00   0.02   0.02    -0.00  -0.04  -0.00
     7   8     0.03  -0.03  -0.00     0.03  -0.02   0.00    -0.06   0.06   0.01
     8   1    -0.16   0.14   0.06    -0.14   0.12   0.07     0.39   0.06   0.09
     9   1     0.25   0.45  -0.09    -0.00   0.02  -0.04     0.16   0.27  -0.08
    10   1    -0.08  -0.26   0.42    -0.18   0.15  -0.11    -0.61   0.01   0.08
    11   1     0.04  -0.03   0.29     0.00  -0.01   0.06    -0.03   0.04   0.04
    12   1    -0.10   0.01  -0.11    -0.04  -0.19  -0.12     0.23  -0.39  -0.05
    13   1    -0.26   0.37   0.06    -0.09   0.09  -0.01     0.24  -0.05  -0.11
    14   1    -0.24  -0.11   0.06     0.77   0.36  -0.23    -0.03  -0.01  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1111.7582              1139.1796              1214.3528
 Red. masses --      1.1701                 2.7953                 2.5513
 Frc consts  --      0.8521                 2.1373                 2.2166
 IR Inten    --     14.8355                 6.5277                20.8791
 RamAct Fr= 1--      1.5771                 1.2209                 6.1110
  Dep-P Fr= 1--      0.4777                 0.7237                 0.3375
  Dep-U Fr= 1--      0.6466                 0.8397                 0.5047
 Alpha2 Fr= 1--      0.0086                 0.0006                 0.0558
 Beta2  Fr= 1--      0.1700                 0.1709                 0.5140
 AlphaG Fr= 1--     -0.0294                -0.0039                 0.0167
 Gamma2 Fr= 1--      0.2988                 0.4200                -0.4763
 Delta2 Fr= 1--      0.1010                 0.0658                -0.0590
 Raman1 Fr= 1--       6.309                  4.884                 24.444
 ROA1   Fr= 1--      31.918                 42.424                -47.607
 CID1   Fr= 1--       5.059                  8.687                 -1.948
 Raman2 Fr= 1--       2.039                  2.050                  6.169
 ROA2   Fr= 1--       6.364                  9.553                -10.958
 CID2   Fr= 1--       3.120                  4.659                 -1.777
 Raman3 Fr= 1--       4.079                  4.101                 12.337
 ROA3   Fr= 1--      31.918                 42.424                -47.607
 CID3   Fr= 1--       7.825                 10.345                 -3.859
 RC180  Fr= 1--       0.293                  0.679                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.01     0.08  -0.12   0.11    -0.01   0.01  -0.01
     2  16    -0.00   0.01   0.01     0.00   0.01  -0.01     0.00  -0.00   0.00
     3   6    -0.05   0.07   0.01    -0.05   0.30  -0.04    -0.05  -0.03   0.05
     4   7     0.01  -0.01  -0.04    -0.03  -0.13  -0.04     0.02   0.03  -0.01
     5   6    -0.04   0.02  -0.00     0.06  -0.04   0.02     0.27  -0.09  -0.10
     6   8     0.00   0.01   0.00    -0.02  -0.05  -0.00    -0.04  -0.09   0.01
     7   8     0.03  -0.03  -0.00     0.00   0.04  -0.00    -0.06   0.14   0.03
     8   1     0.01  -0.31   0.03    -0.19   0.67  -0.08    -0.37  -0.35   0.01
     9   1     0.57  -0.06   0.07     0.04  -0.09   0.11    -0.06  -0.01  -0.01
    10   1    -0.45   0.04  -0.01     0.11  -0.12   0.10    -0.06   0.01  -0.01
    11   1     0.05  -0.03  -0.06    -0.10   0.07   0.05    -0.58   0.34   0.12
    12   1    -0.06   0.32   0.18     0.06  -0.33  -0.12    -0.14   0.28   0.08
    13   1     0.04  -0.44   0.00     0.10  -0.12  -0.10    -0.06  -0.16   0.04
    14   1    -0.05  -0.03   0.00    -0.30  -0.14   0.07     0.05   0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1242.4700              1271.9565              1328.5862
 Red. masses --      1.3809                 1.4376                 1.3373
 Frc consts  --      1.2560                 1.3703                 1.3908
 IR Inten    --     11.3452                 1.5058                 6.4046
 RamAct Fr= 1--      3.3003                 1.1998                 4.0070
  Dep-P Fr= 1--      0.3940                 0.7246                 0.5359
  Dep-U Fr= 1--      0.5652                 0.8403                 0.6979
 Alpha2 Fr= 1--      0.0250                 0.0005                 0.0165
 Beta2  Fr= 1--      0.3109                 0.1680                 0.4661
 AlphaG Fr= 1--      0.0152                -0.0092                 0.0030
 Gamma2 Fr= 1--      0.3519                -0.9965                -0.7374
 Delta2 Fr= 1--     -0.9520                -0.1779                 0.3931
 Raman1 Fr= 1--      13.201                  4.799                 16.028
 ROA1   Fr= 1--       3.320               -101.361                -58.206
 CID1   Fr= 1--       0.251                -21.120                 -3.631
 Raman2 Fr= 1--       3.731                  2.017                  5.593
 ROA2   Fr= 1--      16.062                -22.494                -20.841
 CID2   Fr= 1--       4.305                -11.155                 -3.727
 Raman3 Fr= 1--       7.462                  4.033                 11.185
 ROA3   Fr= 1--       3.320               -101.361                -58.206
 CID3   Fr= 1--       0.445                -25.133                 -5.204
 RC180  Fr= 1--       0.130                  0.681                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.02  -0.01    -0.10  -0.01  -0.07     0.10  -0.02  -0.03
     2  16    -0.00  -0.01   0.01    -0.00  -0.01   0.00     0.00   0.00  -0.00
     3   6    -0.11  -0.01  -0.09     0.04   0.09   0.10    -0.12   0.02   0.04
     4   7     0.02   0.00   0.04    -0.02  -0.01  -0.05     0.01   0.00  -0.02
     5   6     0.06  -0.02   0.06    -0.02  -0.00  -0.00     0.00   0.00   0.03
     6   8    -0.01  -0.01  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.00   0.02  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62   0.04   0.01     0.19  -0.13   0.14     0.66  -0.08   0.15
     9   1     0.60  -0.05   0.06     0.04   0.17  -0.06    -0.61   0.08  -0.11
    10   1     0.21  -0.00  -0.04     0.78  -0.16   0.13    -0.21  -0.04   0.11
    11   1    -0.15   0.09   0.07     0.00  -0.00  -0.01    -0.11   0.06   0.03
    12   1    -0.02  -0.16  -0.13    -0.01   0.20   0.14    -0.04   0.09   0.02
    13   1    -0.09   0.25   0.04     0.10  -0.35  -0.05    -0.01  -0.14   0.01
    14   1     0.10   0.05  -0.02     0.09   0.04  -0.03    -0.04  -0.02   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1401.3420              1412.5217              1489.0418
 Red. masses --      1.2910                 1.5873                 1.0926
 Frc consts  --      1.4937                 1.8659                 1.4273
 IR Inten    --     11.2049               452.1087                 4.5039
 RamAct Fr= 1--      3.3643                 4.3854                 4.3333
  Dep-P Fr= 1--      0.6941                 0.1502                 0.7208
  Dep-U Fr= 1--      0.8194                 0.2611                 0.8377
 Alpha2 Fr= 1--      0.0033                 0.0678                 0.0022
 Beta2  Fr= 1--      0.4595                 0.1908                 0.6050
 AlphaG Fr= 1--     -0.0119                -0.0270                 0.0091
 Gamma2 Fr= 1--      1.0931                 0.2811                 0.1228
 Delta2 Fr= 1--     -0.5755                 0.0639                -0.4463
 Raman1 Fr= 1--      13.457                 17.542                 17.333
 ROA1   Fr= 1--      86.519                 29.031                 -2.495
 CID1   Fr= 1--       6.429                  1.655                 -0.144
 Raman2 Fr= 1--       5.514                  2.290                  7.260
 ROA2   Fr= 1--      30.838                  6.236                  6.517
 CID2   Fr= 1--       5.593                  2.723                  0.898
 Raman3 Fr= 1--      11.027                  4.580                 14.521
 ROA3   Fr= 1--      86.519                 29.031                 -2.495
 CID3   Fr= 1--       7.846                  6.338                 -0.172
 RC180  Fr= 1--       0.639                 -0.478                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.00     0.01  -0.00  -0.00     0.01  -0.07   0.05
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.02  -0.13   0.05    -0.05   0.02   0.01    -0.02  -0.01   0.01
     4   7     0.01   0.02  -0.06     0.01   0.01   0.00     0.00   0.00  -0.01
     5   6     0.02  -0.01   0.01     0.14  -0.06  -0.02     0.01  -0.00  -0.00
     6   8     0.00   0.01  -0.00    -0.02   0.06   0.00    -0.00   0.00   0.00
     7   8    -0.01   0.00   0.00    -0.12   0.01   0.02    -0.00   0.00  -0.00
     8   1     0.07   0.86   0.02     0.07  -0.07   0.03     0.02   0.06   0.01
     9   1     0.09  -0.11   0.02    -0.02  -0.01  -0.01     0.02   0.69   0.01
    10   1    -0.06   0.02   0.03     0.01  -0.02   0.03     0.05   0.19  -0.68
    11   1    -0.01   0.01  -0.01     0.84  -0.45  -0.17     0.01  -0.01  -0.00
    12   1    -0.04   0.30   0.13     0.01  -0.03  -0.03    -0.00   0.04   0.03
    13   1     0.06  -0.29  -0.04    -0.01  -0.07   0.02     0.02  -0.02  -0.01
    14   1     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1662.3646              1837.3809              2682.8719
 Red. masses --      1.0916                 9.8527                 1.0386
 Frc consts  --      1.7774                19.5976                 4.4045
 IR Inten    --     33.4040               308.1747                 1.3783
 RamAct Fr= 1--      2.4477                12.4426               177.2165
  Dep-P Fr= 1--      0.6727                 0.3320                 0.2258
  Dep-U Fr= 1--      0.8043                 0.4985                 0.3685
 Alpha2 Fr= 1--      0.0034                 0.1157                 2.2452
 Beta2  Fr= 1--      0.3281                 1.0337                10.8832
 AlphaG Fr= 1--      0.0084                 0.1100                -0.1691
 Gamma2 Fr= 1--      0.0392                 0.6313                 3.4863
 Delta2 Fr= 1--     -0.0481                 0.5126                 0.2997
 Raman1 Fr= 1--       9.791                 49.770                708.866
 ROA1   Fr= 1--       2.221                 77.011                344.273
 CID1   Fr= 1--       0.227                  1.547                  0.486
 Raman2 Fr= 1--       3.937                 12.404                130.599
 ROA2   Fr= 1--       1.325                 11.051                 81.272
 CID2   Fr= 1--       0.336                  0.891                  0.622
 Raman3 Fr= 1--       7.875                 24.809                261.197
 ROA3   Fr= 1--       2.221                 77.011                344.273
 CID3   Fr= 1--       0.282                  3.104                  1.318
 RC180  Fr= 1--       0.609                 -0.003                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02  -0.02   0.01
     3   6    -0.03   0.01  -0.00    -0.02  -0.03   0.00     0.00  -0.00  -0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.16   0.71   0.01    -0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.10  -0.43  -0.01     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
     9   1    -0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01  -0.00   0.02     0.04   0.01   0.01    -0.00  -0.01  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.19  -0.10    -0.00   0.00   0.00
    12   1     0.25   0.34   0.56     0.01  -0.03   0.00    -0.00   0.00  -0.00
    13   1     0.36   0.57  -0.22    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.02   0.02  -0.01    -0.51   0.78  -0.37
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3042.6182              3058.3968              3141.1679
 Red. masses --      1.0782                 1.0709                 1.0987
 Frc consts  --      5.8808                 5.9020                 6.3870
 IR Inten    --      6.0245                13.8941                 0.9523
 RamAct Fr= 1--    138.3426                17.9500                45.5445
  Dep-P Fr= 1--      0.1145                 0.1016                 0.3681
  Dep-U Fr= 1--      0.2055                 0.1845                 0.5381
 Alpha2 Fr= 1--      2.3371                 0.3130                 0.3767
 Beta2  Fr= 1--      4.7390                 0.5520                 4.0845
 AlphaG Fr= 1--     -0.5518                 0.1594                -0.5727
 Gamma2 Fr= 1--      8.0052                -3.9779                -3.4825
 Delta2 Fr= 1--      7.3452                -3.7547                -3.0282
 Raman1 Fr= 1--     553.370                 71.800                182.178
 ROA1   Fr= 1--    1003.544               -502.032               -431.220
 CID1   Fr= 1--       1.814                 -6.992                 -2.367
 Raman2 Fr= 1--      56.868                  6.624                 49.014
 ROA2   Fr= 1--     133.363                -65.433                -59.353
 CID2   Fr= 1--       2.345                 -9.878                 -1.211
 Raman3 Fr= 1--     113.736                 13.248                 98.028
 ROA3   Fr= 1--    1003.544               -502.032               -431.220
 CID3   Fr= 1--       8.823                -37.895                 -4.399
 RC180  Fr= 1--      -0.589                 -0.631                  0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.04     0.01   0.02  -0.06    -0.00  -0.07  -0.05
     2  16    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.12   0.04   0.82    -0.07   0.02   0.54    -0.01   0.00   0.06
     9   1     0.06  -0.02  -0.53    -0.08   0.03   0.77    -0.03  -0.00   0.31
    10   1     0.01   0.13   0.05    -0.03  -0.28  -0.11     0.09   0.89   0.30
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.5261              3503.2981              3585.9142
 Red. masses --      1.0641                 1.0517                 1.0921
 Frc consts  --      7.4217                 7.6047                 8.2739
 IR Inten    --    255.8428                 1.2294                13.6635
 RamAct Fr= 1--     69.8136                69.0083                36.4090
  Dep-P Fr= 1--      0.0836                 0.0553                 0.5284
  Dep-U Fr= 1--      0.1543                 0.1048                 0.6914
 Alpha2 Fr= 1--      1.2722                 1.3461                 0.1564
 Beta2  Fr= 1--      1.7952                 1.2049                 4.1957
 AlphaG Fr= 1--      0.1535                 0.1443                -0.1022
 Gamma2 Fr= 1--      0.3828                -0.1828                 0.4298
 Delta2 Fr= 1--      1.1204                -0.1791                -0.3948
 Raman1 Fr= 1--     279.254                276.033                145.636
 ROA1   Fr= 1--      72.599                -23.276                 28.624
 CID1   Fr= 1--       0.260                 -0.084                  0.197
 Raman2 Fr= 1--      21.542                 14.459                 50.349
 ROA2   Fr= 1--       0.223                 -2.954                 13.472
 CID2   Fr= 1--       0.010                 -0.204                  0.268
 Raman3 Fr= 1--      43.084                 28.917                100.697
 ROA3   Fr= 1--      72.599                -23.276                 28.624
 CID3   Fr= 1--       1.685                 -0.805                  0.284
 RC180  Fr= 1--      -0.691                 -0.790                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2  16    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   7    -0.00  -0.00  -0.00    -0.04  -0.03  -0.03     0.02   0.03  -0.07
     5   6     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.03  -0.05   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1     0.41   0.90   0.00    -0.05  -0.10  -0.00     0.01   0.02  -0.00
    12   1     0.04   0.04  -0.05     0.27   0.28  -0.34    -0.49  -0.46   0.53
    13   1     0.03   0.01   0.08     0.27   0.09   0.80     0.19   0.06   0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   397.518271520.045171852.93697
           X            0.99975  -0.02165   0.00532
           Y            0.02170   0.99972  -0.00963
           Z           -0.00511   0.00974   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21789     0.05698     0.04674
 Rotational constants (GHZ):           4.54002     1.18729     0.97399
 Zero-point vibrational energy     283167.3 (Joules/Mol)
                                   67.67861 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.13   123.69   215.11   249.03   367.81
          (Kelvin)            406.77   506.55   592.85   755.70   853.40
                             1004.41  1119.18  1159.94  1225.72  1260.47
                             1311.49  1356.82  1473.59  1599.57  1639.03
                             1747.18  1787.64  1830.06  1911.54  2016.22
                             2032.30  2142.40  2391.77  2643.58  3860.05
                             4377.65  4400.35  4519.44  4950.15  5040.46
                             5159.33
 
 Zero-point correction=                           0.107853 (Hartree/Particle)
 Thermal correction to Energy=                    0.116112
 Thermal correction to Enthalpy=                  0.117057
 Thermal correction to Gibbs Free Energy=         0.074204
 Sum of electronic and zero-point Energies=           -722.016977
 Sum of electronic and thermal Energies=              -722.008717
 Sum of electronic and thermal Enthalpies=            -722.007773
 Sum of electronic and thermal Free Energies=         -722.050625
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.862             28.471             90.191
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.506
 Vibrational             71.084             22.510             21.398
 Vibration     1          0.596              1.974              4.532
 Vibration     2          0.601              1.959              3.750
 Vibration     3          0.618              1.903              2.678
 Vibration     4          0.627              1.876              2.402
 Vibration     5          0.666              1.753              1.691
 Vibration     6          0.682              1.706              1.517
 Vibration     7          0.729              1.571              1.157
 Vibration     8          0.776              1.444              0.919
 Vibration     9          0.880              1.194              0.598
 Vibration    10          0.951              1.046              0.462
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.738697D-34        -34.131534        -78.590761
 Total V=0       0.300078D+16         15.477235         35.637649
 Vib (Bot)       0.372688D-47        -47.428655       -109.208513
 Vib (Bot)    1  0.357476D+01          0.553247          1.273898
 Vib (Bot)    2  0.239321D+01          0.378981          0.872635
 Vib (Bot)    3  0.135640D+01          0.132388          0.304835
 Vib (Bot)    4  0.116316D+01          0.065640          0.151143
 Vib (Bot)    5  0.761394D+00         -0.118391         -0.272604
 Vib (Bot)    6  0.679059D+00         -0.168092         -0.387047
 Vib (Bot)    7  0.523343D+00         -0.281214         -0.647519
 Vib (Bot)    8  0.428710D+00         -0.367837         -0.846975
 Vib (Bot)    9  0.305838D+00         -0.514508         -1.184699
 Vib (Bot)   10  0.253516D+00         -0.595994         -1.372328
 Vib (V=0)       0.151396D+03          2.180114          5.019897
 Vib (V=0)    1  0.410956D+01          0.613795          1.413316
 Vib (V=0)    2  0.294488D+01          0.469068          1.080069
 Vib (V=0)    3  0.194562D+01          0.289059          0.665582
 Vib (V=0)    4  0.176608D+01          0.247009          0.568760
 Vib (V=0)    5  0.141089D+01          0.149493          0.344221
 Vib (V=0)    6  0.134328D+01          0.128167          0.295115
 Vib (V=0)    7  0.122380D+01          0.087711          0.201961
 Vib (V=0)    8  0.115863D+01          0.063944          0.147237
 Vib (V=0)    9  0.108612D+01          0.035878          0.082612
 Vib (V=0)   10  0.106060D+01          0.025551          0.058833
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.378776D+06          5.578383         12.844701
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3         3  33           2                             1      1     1 11 1 111  11  1                                    
     5  5  4         1  00           6                             8      6     4 44 3 222  11  0  9988 87  6  5  5   4 3 22  11     
     8  0  4         4  54           8                             3      6     8 10 2 741  31  2  4175 07  9  9  2   1 5 85  75 85  
     6  3  1         1  83           3                             7      2     9 31 9 224  92  4  3262 68  8  3  5   2 2 36  30 68  
 
     X  X  X         X  XX           X                             X      X     X XX X XXX  XX  X  XXXX XX  X  X  X   X X XX  XX XX  
           X                                                       X              X             X   XXX                              
           X                                                       X              X                  XX                              
           X                                                       X              X                   X                              
           X                                                       X              X                   X                              
           X                                                       X              X                   X                              
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000029501    0.000006355   -0.000000561
      2       16          -0.000008599   -0.000013766    0.000007358
      3        6           0.000001955    0.000008718   -0.000004327
      4        7          -0.000007692   -0.000006495   -0.000004765
      5        6          -0.000006479   -0.000021123    0.000000419
      6        8          -0.000000134    0.000020853    0.000003991
      7        8          -0.000014743   -0.000005387   -0.000002096
      8        1           0.000002367    0.000004160   -0.000003752
      9        1          -0.000000741   -0.000000809    0.000003140
     10        1          -0.000007104    0.000000818    0.000000712
     11        1           0.000005857    0.000006727    0.000003867
     12        1           0.000003188   -0.000003038   -0.000001393
     13        1           0.000003244   -0.000002210    0.000000339
     14        1          -0.000000621    0.000005197   -0.000002932
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029501 RMS     0.000008321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.919358D+02 -0.610030D+00 -0.107865D+01
      2  -0.610030D+00  0.769771D+02  0.188712D+00
      3  -0.107865D+01  0.188712D+00  0.604352D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.208899D+00 -0.300930D+01 -0.185813D+01
      2   0.339590D+01 -0.127578D+01  0.320441D+02
      3   0.611333D+01 -0.102156D+02  0.184466D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.879048D+02 -0.531035D+01  0.233206D+01
      2  -0.515370D+02  0.541299D+00 -0.222424D+00
      3  -0.363678D+02  0.476905D+01 -0.210964D+01
      4  -0.670255D+01  0.113961D+02 -0.477529D+01
      5   0.624436D+01 -0.630776D+01  0.605290D+02
      6  -0.150527D+01  0.337084D+01  0.387123D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.914518D+01 -0.291886D+01  0.135529D+01 -0.366749D+01  0.852619D+00
      2  -0.291886D+01  0.150057D+00 -0.519914D+00  0.852619D+00  0.266644D+01
      3   0.135529D+01 -0.519914D+00 -0.721511D+00  0.709557D+00  0.105010D+01
                 6             7             8             9            10 
      1   0.709557D+00  0.223409D+01  0.432278D+00  0.185626D+01  0.101207D+02
      2   0.105010D+01  0.432278D+00  0.218519D+01  0.953479D+00  0.522759D+01
      3  -0.328932D+00  0.185626D+01  0.953479D+00 -0.560713D+01 -0.273648D+01
                11            12            13            14            15 
      1   0.522759D+01 -0.273648D+01  0.819992D+01  0.319922D+00  0.967784D+00
      2  -0.459297D+00  0.101165D+01  0.319922D+00  0.581970D+01 -0.261144D+01
      3   0.101165D+01  0.137635D+01  0.967784D+00 -0.261144D+01  0.205454D+01
                16            17            18            19            20 
      1  -0.427223D+01  0.840169D+00  0.299151D+01  0.343320D+01  0.270239D+01
      2   0.840169D+00 -0.301201D+01  0.997527D+00  0.270239D+01 -0.130052D+01
      3   0.299151D+01  0.997527D+00 -0.143723D+01 -0.311388D+00  0.418410D+00
                21            22            23            24            25 
      1  -0.311388D+00  0.334758D+01  0.352141D+00  0.511655D-01 -0.103949D+01
      2   0.418410D+00  0.352141D+00 -0.253834D+01 -0.502301D+00  0.922104D+00
      3  -0.585851D+00  0.511655D-01 -0.502301D+00  0.550637D+00 -0.465239D+00
                26            27            28            29            30 
      1   0.922104D+00 -0.465239D+00 -0.131798D+01 -0.163432D+01  0.635548D+00
      2  -0.115989D+01 -0.328178D-03 -0.163432D+01 -0.159785D+01  0.840042D-01
      3  -0.328178D-03  0.563981D+01  0.635548D+00  0.840042D-01 -0.182162D+01
                31            32            33            34            35 
      1  -0.102810D+01 -0.203600D+01  0.277945D+00  0.872237D+00  0.286190D+00
      2  -0.203600D+01  0.402766D+01  0.800812D+00  0.286190D+00  0.998574D+00
      3   0.277945D+00  0.800812D+00 -0.986885D+00 -0.204859D+01 -0.763566D+00
                36            37            38            39            40 
      1  -0.204859D+01 -0.299908D+01 -0.205286D+01 -0.112899D+00 -0.117065D+01
      2  -0.763566D+00 -0.205286D+01  0.134323D+01  0.853518D-01  0.256858D+01
      3  -0.280140D+01 -0.112899D+00  0.853518D-01 -0.288375D+00  0.173179D+00
                41            42            43            44            45 
      1   0.256858D+01  0.173179D+00  0.746846D+00  0.276833D+00 -0.245445D+00
      2   0.595740D+01  0.206182D+00  0.276833D+00  0.587578D+00  0.283593D+00
      3   0.206182D+00  0.303580D+00 -0.245445D+00  0.283593D+00 -0.373664D+00
                46            47            48            49            50 
      1  -0.201534D+01 -0.325637D+01 -0.179710D+00 -0.456765D+01 -0.305873D+01
      2  -0.325637D+01 -0.263082D+01 -0.224161D+00 -0.305873D+01 -0.129728D+02
      3  -0.179710D+00 -0.224161D+00 -0.179285D+00 -0.138558D+00 -0.364258D+00
                51            52            53            54            55 
      1  -0.138558D+00 -0.397967D+00 -0.118971D+00 -0.115138D+01 -0.826415D+01
      2  -0.364258D+00 -0.118971D+00 -0.206637D+00 -0.314134D+01  0.192451D+01
      3  -0.233977D+01 -0.115138D+01 -0.314134D+01 -0.231298D+00  0.502406D+00
                56            57            58            59            60 
      1   0.192451D+01  0.502406D+00 -0.187405D+01 -0.397502D+01 -0.566294D-01
      2  -0.244621D+01 -0.164174D+00 -0.397502D+01 -0.672737D+00  0.694977D-01
      3  -0.164174D+00 -0.984792D+00 -0.566294D-01  0.694977D-01  0.492291D+00
                61            62            63            64            65 
      1   0.845021D+00 -0.257446D+00 -0.188658D+01  0.596142D+00 -0.566651D+00
      2  -0.257446D+00  0.164114D-01  0.121668D+01 -0.566651D+00  0.308906D+00
      3  -0.188658D+01  0.121668D+01  0.805797D+00 -0.803307D+00 -0.107201D+00
                66            67            68            69            70 
      1  -0.803307D+00 -0.996270D+00  0.122451D+00  0.778787D-01 -0.213266D+01
      2  -0.107201D+00  0.122451D+00  0.490428D+00 -0.945353D+00 -0.107551D+00
      3   0.682759D+00  0.778787D-01 -0.945353D+00 -0.292131D+00  0.398371D-01
                71            72            73            74            75 
      1  -0.107551D+00  0.398371D-01 -0.191113D+00  0.133092D+00  0.876694D+00
      2  -0.141911D+01  0.102933D+00  0.133092D+00 -0.133640D+00  0.200017D+00
      3   0.102933D+00 -0.731163D+01  0.876694D+00  0.200017D+00 -0.672181D+00
                76            77            78            79            80 
      1   0.944175D+00 -0.408011D+00 -0.217580D-01  0.302398D+01  0.181717D+00
      2  -0.408011D+00 -0.593394D+00  0.872611D+00  0.181717D+00  0.115472D+01
      3  -0.217580D-01  0.872611D+00  0.158029D+00 -0.168123D+01 -0.139450D+01
                81            82            83            84            85 
      1  -0.168123D+01 -0.423033D+00 -0.437339D+00 -0.416250D+00 -0.226559D+01
      2  -0.139450D+01 -0.437339D+00 -0.156306D+00  0.921722D-01 -0.962077D+00
      3   0.729501D+01 -0.416250D+00  0.921722D-01 -0.688847D-02 -0.572732D-01
                86            87            88            89            90 
      1  -0.962077D+00 -0.572732D-01 -0.172003D+01 -0.237822D+00 -0.383426D+00
      2  -0.683705D+01 -0.449192D+00 -0.237822D+00 -0.144519D+01 -0.104232D+01
      3  -0.449192D+00 -0.929207D+00 -0.383426D+00 -0.104232D+01 -0.905695D-01
                91            92            93            94            95 
      1   0.196562D+01  0.196953D+01 -0.119548D+00  0.508386D+01  0.102211D+00
      2   0.196953D+01  0.470277D+00  0.101954D+00  0.102211D+00  0.462895D+01
      3  -0.119548D+00  0.101954D+00 -0.378521D+00 -0.163460D+00  0.234187D+00
                96            97            98            99           100 
      1  -0.163460D+00 -0.127334D+00 -0.730979D-01 -0.687269D+00  0.191618D+01
      2   0.234187D+00 -0.730979D-01  0.702768D-01  0.566783D+00  0.161408D+01
      3   0.911635D+00 -0.687269D+00  0.566783D+00  0.171847D+00 -0.737163D+00
               101           102           103           104           105 
      1   0.161408D+01 -0.737163D+00  0.225969D+01  0.176077D+01 -0.742625D+00
      2   0.267062D+01 -0.865318D+00  0.176077D+01  0.371489D+01 -0.105244D+01
      3  -0.865318D+00  0.107583D+01 -0.742625D+00 -0.105244D+01  0.134660D+01
               106           107           108           109           110 
      1  -0.208597D+01 -0.100365D+01  0.102922D+01  0.332471D+00  0.553253D+00
      2  -0.100365D+01 -0.230776D+01  0.154451D+01  0.553253D+00  0.861511D+00
      3   0.102922D+01  0.154451D+01 -0.177573D+01  0.620749D+00  0.711597D+00
               111           112           113           114           115 
      1   0.620749D+00  0.610268D+00  0.371274D+00  0.376885D+00  0.197155D+01
      2   0.711597D+00  0.371274D+00  0.128238D+01  0.726798D+00  0.337260D+00
      3   0.117361D+01  0.376885D+00  0.726798D+00  0.851986D+00  0.133666D+01
               116           117           118           119           120 
      1   0.337260D+00  0.133666D+01  0.599154D+01 -0.325804D+01  0.142606D+01
      2   0.223399D+01  0.166005D+01 -0.325804D+01  0.292005D+01 -0.824394D+00
      3   0.166005D+01  0.500573D+01  0.142606D+01 -0.824394D+00  0.133048D+01
               121           122           123           124           125 
      1  -0.487566D+01  0.398987D+01 -0.145409D+01  0.208195D+01 -0.147802D+01
      2   0.398987D+01 -0.497354D+01  0.196479D+01 -0.147802D+01  0.230385D+01
      3  -0.145409D+01  0.196479D+01 -0.179237D+01  0.129568D+01 -0.983490D+00
               126 
      1   0.129568D+01
      2  -0.983490D+00
      3   0.710445D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.949381D+00 -0.126570D+01  0.460838D+00  0.261016D+00  0.491664D+01
      2   0.578316D+01 -0.129359D+01 -0.219449D+01  0.165350D+01 -0.288581D+00
      3   0.613196D+01  0.316363D+01  0.750696D+00  0.120418D+02 -0.300274D+01
                 6             7             8             9            10 
      1  -0.297312D+01  0.438493D+01  0.358963D+01 -0.443459D+01 -0.346463D-01
      2  -0.134687D+01 -0.752831D+01 -0.613203D+00 -0.221385D+01 -0.115618D+02
      3  -0.278387D+01 -0.280128D+01 -0.264929D+01 -0.298030D+01 -0.202391D+02
                11            12            13            14            15 
      1   0.171704D+01  0.562384D+00  0.122453D+01  0.936253D+00 -0.591288D+01
      2   0.218700D+01  0.759809D+01  0.931862D+00 -0.754388D+01  0.666096D+01
      3  -0.227616D+01 -0.119865D+01  0.167630D+02 -0.197721D+02  0.700169D+01
                16            17            18            19            20 
      1  -0.206653D+00  0.981244D+01 -0.168224D+01 -0.186706D+01  0.479750D+00
      2  -0.103202D+02  0.378278D+01 -0.255829D+01  0.130705D+01 -0.732145D+00
      3  -0.249861D+00  0.856099D+01 -0.371872D+01  0.186440D+01 -0.602918D+01
                21            22            23            24            25 
      1  -0.771595D+00  0.276814D+00  0.358675D+00 -0.500582D+00 -0.204886D+01
      2   0.316857D+01  0.170289D+01 -0.113417D+01  0.320671D+01 -0.333922D+01
      3   0.644161D+00 -0.200270D+01 -0.238610D+01  0.274739D+00 -0.227161D+00
                26            27            28            29            30 
      1   0.420104D+01 -0.189985D+00 -0.142070D+01 -0.129420D+01  0.546632D+01
      2   0.729302D-02 -0.394463D+01 -0.335011D-01  0.111543D+01  0.546173D+01
      3   0.191537D+01  0.509909D+00 -0.310369D+01 -0.125330D+02  0.933277D+00
                31            32            33            34            35 
      1  -0.240033D+01 -0.382574D+01 -0.222661D+01  0.531040D+01  0.669042D+01
      2   0.177782D+00  0.346097D+00 -0.129481D+01 -0.232565D+01 -0.138650D+00
      3   0.114671D+01  0.401590D+00  0.147238D+01  0.234759D+01  0.175419D+01
                36            37            38            39            40 
      1   0.515629D+01  0.108277D+01  0.892123D+00  0.143788D+00  0.165259D+01
      2   0.217911D+01 -0.392576D+01 -0.149260D+00 -0.618404D+01 -0.111867D-01
      3  -0.611021D+01 -0.678785D+01  0.123646D+01 -0.148368D+00  0.126087D+00
                41            42            43            44            45 
      1  -0.591882D+00  0.921292D+01  0.182656D-01  0.938909D+01  0.901267D+00
      2   0.116550D+01 -0.218437D+01 -0.189500D+02 -0.176297D+01  0.347306D+01
      3   0.121422D+02 -0.993735D+00  0.689003D+00 -0.187567D+01  0.987606D+00
                46            47            48            49            50 
      1   0.164574D+00  0.171868D+00 -0.275910D+01  0.838812D-01  0.117681D+01
      2   0.283390D+00  0.480953D+00  0.543064D+01 -0.169830D+01 -0.340783D+00
      3  -0.175342D+01 -0.638741D+01 -0.426317D+00  0.101847D+02 -0.234804D+02
                51            52            53            54            55 
      1  -0.108331D+02 -0.553207D+00  0.883023D+00 -0.113058D+00 -0.978932D+00
      2   0.548662D+01  0.305829D+01  0.583313D+01 -0.266214D+00  0.125643D+00
      3  -0.972704D-01 -0.100654D+01  0.614167D-01 -0.570100D+01 -0.507807D+01
                56            57            58            59            60 
      1  -0.903483D+00  0.287400D+01 -0.418830D+00 -0.642442D+00 -0.389466D+01
      2   0.770409D+00  0.938846D+01  0.137224D+01 -0.102402D+00 -0.140427D+01
      3  -0.167984D+02 -0.385609D+00 -0.126894D+02 -0.860158D+01  0.142329D+00
                61            62            63            64            65 
      1   0.627042D+00  0.209961D+01 -0.565709D+00  0.451368D+00 -0.715022D+00
      2   0.649461D+01 -0.154097D+01 -0.285826D+01  0.222452D+01 -0.363877D+00
      3   0.174363D+00  0.160808D+01  0.248184D+01  0.219891D+00 -0.248009D+00
                66            67            68            69            70 
      1   0.103972D+00 -0.320275D+00 -0.502557D+00 -0.265034D+00  0.300038D+00
      2   0.682545D-01 -0.491380D+00  0.739961D+00 -0.318875D+00 -0.346622D+01
      3  -0.299160D+00  0.179910D+01  0.317375D-01 -0.130871D+00 -0.229795D-01
                71            72            73            74            75 
      1   0.270186D+01  0.940613D+00  0.975537D+00 -0.967747D+00 -0.109808D+01
      2   0.138495D-01  0.244765D+01  0.161054D+01  0.538002D+00  0.197503D+01
      3  -0.484319D+00  0.435902D+00  0.107137D+01 -0.166004D+01 -0.123237D+01
                76            77            78            79            80 
      1  -0.714552D+00  0.107780D+00 -0.154341D+00 -0.185611D+01  0.162484D+01
      2  -0.131915D+00  0.109349D+01  0.416061D+00 -0.429356D+01 -0.512983D+00
      3   0.273754D-01  0.217185D+00 -0.481174D+00 -0.324805D+01 -0.587116D+00
                81            82            83            84            85 
      1   0.602107D+01 -0.102204D+01 -0.329345D+00 -0.792878D+00 -0.692446D+00
      2   0.427620D+01  0.171069D-01  0.684867D+00  0.162098D+01  0.833694D+00
      3   0.304075D+01  0.269024D+01 -0.261947D+00  0.765938D-02  0.558589D+01
                86            87            88            89            90 
      1  -0.341395D+01 -0.291186D+01 -0.836131D+00 -0.103480D+01 -0.181963D+00
      2   0.113268D+01 -0.422185D+00 -0.860281D+00 -0.289358D+00 -0.593568D+00
      3   0.618806D+01  0.878017D+00  0.240192D+01  0.164312D+01  0.132487D+01
                91            92            93            94            95 
      1   0.720649D+00  0.663175D+00  0.892820D+00  0.549245D+00  0.917955D+00
      2  -0.717647D+00 -0.800609D+00 -0.149003D+01 -0.577361D+00 -0.101505D+01
      3   0.866283D+01  0.993978D+01  0.125835D+00  0.129325D+02  0.175407D+02
                96            97            98            99           100 
      1  -0.112268D+01  0.100061D+01  0.114991D+01  0.916428D-01  0.192995D+01
      2  -0.260718D+01 -0.180125D+01 -0.181927D+01 -0.909557D-01  0.137873D+01
      3   0.671771D+00 -0.257992D+00 -0.408668D+00 -0.606374D-02  0.655186D+01
               101           102           103           104           105 
      1   0.183698D+01 -0.338125D+01  0.196201D+01  0.232708D+01 -0.311364D+01
      2  -0.149191D+00 -0.116352D+00  0.207115D+00  0.546382D+00  0.525010D+00
      3   0.313098D+01 -0.198768D+01  0.704816D+01  0.403348D+01 -0.241398D+01
               106           107           108           109           110 
      1  -0.296202D+01 -0.198764D+01  0.346973D+01 -0.134831D+01 -0.498511D+00
      2  -0.195979D+01  0.807788D-01 -0.223460D+00 -0.168995D+01  0.263608D+00
      3  -0.599913D+01 -0.288283D+01  0.311490D+01  0.219570D+01  0.639397D+00
               111           112           113           114           115 
      1  -0.311051D+01 -0.405696D+00 -0.166897D+01 -0.210006D+01 -0.372624D+01
      2  -0.438745D+00  0.219409D-01 -0.473913D+00  0.333573D+00 -0.306148D+01
      3   0.114805D+01  0.202314D+01  0.682823D+00  0.104776D+01  0.470974D+01
               116           117           118           119           120 
      1  -0.156704D+01 -0.103535D+02  0.397463D+00  0.213065D+00  0.140930D+01
      2  -0.263119D+00 -0.187901D+01  0.465974D+01 -0.245752D+01  0.592911D+01
      3   0.119478D+01  0.433092D+01  0.787869D+01 -0.104053D+02  0.197353D+01
               121           122           123           124           125 
      1  -0.519177D+00 -0.189727D+00 -0.342155D+01  0.243121D+00  0.936865D+00
      2  -0.399088D+01  0.587466D+01 -0.705037D+01  0.238458D+01 -0.247166D+01
      3  -0.901801D+01  0.156995D+02 -0.512659D+01  0.349038D+01 -0.785005D+01
               126 
      1   0.103538D+01
      2   0.279102D+01
      3   0.228959D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.425656D+02 -0.510261D+01  0.213802D+01 -0.101245D+02  0.768811D+01
      2   0.235727D+02  0.303511D+01 -0.271480D+01  0.583370D+01 -0.103046D+02
      3   0.189929D+02  0.206750D+01  0.576782D+00  0.429079D+01  0.261644D+01
      4  -0.479154D+01 -0.586349D+01 -0.239344D+01  0.686827D+01  0.145194D+01
      5   0.651061D+01 -0.187835D+01 -0.997794D+01  0.412942D+01  0.130616D+01
      6  -0.331495D+01  0.188172D+01 -0.138472D+01  0.106985D+01 -0.407687D+01
                 6             7             8             9            10 
      1   0.618626D+01  0.624360D+01  0.545986D+01  0.150151D+02  0.654108D+02
      2  -0.554141D+01 -0.652771D+01 -0.522715D+01 -0.181005D+01 -0.383333D+02
      3  -0.644853D+00  0.284103D+00 -0.232708D+00 -0.132050D+02 -0.270775D+02
      4   0.826046D+00  0.302299D+01  0.495118D+01  0.107283D+01  0.273450D+02
      5  -0.428019D+01  0.787001D+01  0.184250D+01 -0.423998D+01 -0.166926D+02
      6   0.302904D+01 -0.249804D+01  0.166277D+01  0.509757D+01  0.407810D+01
                11            12            13            14            15 
      1   0.259812D+02 -0.152447D+02  0.368321D+02 -0.953136D+01  0.108768D+01
      2  -0.133640D+02  0.589443D+01 -0.189011D+02  0.119958D+02  0.193177D+01
      3  -0.126172D+02  0.935032D+01 -0.179310D+02 -0.246448D+01 -0.301945D+01
      4   0.718455D+01  0.736225D+01  0.106175D+02  0.305650D+02 -0.149135D+02
      5   0.651915D+01  0.213294D+02  0.728969D+01 -0.143895D+02  0.116058D+02
      6  -0.165291D+01  0.327431D+00 -0.350542D+01  0.724660D+01  0.144456D+02
                16            17            18            19            20 
      1  -0.187690D+02  0.137388D+00 -0.257899D+01 -0.971056D+00 -0.108189D+01
      2   0.816937D+01 -0.273767D+00 -0.175239D+02  0.347741D+01  0.263826D-01
      3   0.105996D+02  0.136379D+00  0.201029D+02 -0.250635D+01  0.105550D+01
      4   0.844101D+01 -0.166454D+02  0.565070D+01 -0.391479D+01  0.518004D+01
      5   0.288205D+02  0.660591D+01 -0.571155D+01  0.528952D+00  0.579311D+00
      6   0.549880D+00  0.121787D+02  0.628652D+01  0.819553D+00 -0.167222D+01
                21            22            23            24            25 
      1  -0.106049D+01  0.506944D+01  0.416059D+01  0.678928D+00 -0.615477D+01
      2  -0.486077D+00 -0.203794D+01 -0.750212D+01 -0.241026D+00  0.261882D+01
      3   0.154656D+01 -0.303150D+01  0.334152D+01 -0.437902D+00  0.353595D+01
      4   0.322243D+00 -0.781897D+01  0.668414D+01  0.694115D+00 -0.156028D+01
      5   0.190865D+01  0.331523D+00  0.116244D+01  0.403616D+01 -0.131428D+01
      6  -0.718218D-02 -0.152168D+01 -0.596718D-01 -0.298905D+01  0.155525D+00
                26            27            28            29            30 
      1   0.808424D+00  0.617303D+01  0.173769D+02  0.474284D+01  0.907596D+00
      2  -0.359212D+01  0.851283D+01 -0.131944D+02 -0.779204D+01  0.247364D+01
      3   0.278370D+01 -0.146859D+02 -0.418249D+01  0.304920D+01 -0.338124D+01
      4  -0.116131D+01  0.195623D+00 -0.404787D+01 -0.198842D+01  0.131517D+01
      5  -0.730432D+00 -0.168397D+01  0.359800D+00  0.660625D+00  0.439366D+01
      6   0.873233D+00  0.125659D+01  0.286397D+01  0.267864D+01 -0.964830D+01
                31            32            33            34            35 
      1   0.199966D+01 -0.144931D+02 -0.245419D+01 -0.157886D+01 -0.164201D+01
      2  -0.713490D+01  0.234524D+02  0.482356D+01  0.360400D+01  0.585765D+01
      3   0.513525D+01 -0.895932D+01 -0.236937D+01 -0.202514D+01 -0.421564D+01
      4   0.346648D+01 -0.113332D+02  0.545108D+00  0.221622D+01  0.159742D+01
      5   0.393302D+00 -0.314573D+00 -0.279654D+01  0.367717D+01 -0.271380D+01
      6   0.244478D+01  0.578000D+01  0.155702D+01 -0.102126D+02 -0.184402D+01
                36            37            38            39            40 
      1   0.331028D+01 -0.653492D+01  0.120947D+02  0.343552D+00 -0.678892D+00
      2  -0.273278D+01  0.174958D+01 -0.113333D+02 -0.277770D+01 -0.423801D+01
      3  -0.577500D+00  0.478534D+01 -0.761448D+00  0.243415D+01  0.491690D+01
      4  -0.778724D+01  0.718734D+01 -0.136992D+02 -0.129224D+01 -0.249762D+02
      5  -0.886723D-01 -0.108195D+00 -0.204547D+01 -0.845516D+01 -0.349482D+01
      6  -0.809118D+01 -0.545028D+00 -0.624341D+00  0.166997D+01 -0.777503D+00
                41            42            43            44            45 
      1   0.576524D+01  0.909482D+00  0.371516D+01 -0.248661D+01 -0.508087D+01
      2  -0.174942D+02  0.960400D+00 -0.365286D+01  0.819047D+00 -0.586526D+01
      3   0.117290D+02 -0.186988D+01 -0.623007D-01  0.166757D+01  0.109461D+02
      4  -0.286040D+02 -0.822602D+00 -0.235820D+01  0.151840D+01 -0.227142D+01
      5  -0.174288D+01 -0.207719D+01  0.230901D+01 -0.192492D+01  0.377836D+01
      6  -0.218599D+01 -0.135575D+02 -0.531124D+00  0.366664D+01 -0.100449D+01
                46            47            48            49            50 
      1   0.126356D+02  0.716606D+01 -0.100307D-01  0.113341D+02 -0.216576D+02
      2  -0.221128D+01  0.214596D+01  0.311514D+00  0.182973D+01  0.422355D+02
      3  -0.104243D+02 -0.931201D+01 -0.301483D+00 -0.131638D+02 -0.205780D+02
      4   0.204178D+02  0.244847D+02  0.154851D+01  0.286073D+02  0.568831D+02
      5   0.160071D+01  0.188111D+01  0.862124D+01  0.193751D+01  0.290526D+01
      6   0.878365D+00  0.906488D+00  0.369634D+01  0.147874D+01  0.252224D+01
                51            52            53            54            55 
      1  -0.171048D+01 -0.232307D-01 -0.658204D+00 -0.349590D+01  0.547808D+02
      2   0.439293D+00  0.623499D+00 -0.135992D+00  0.273657D+01 -0.328024D+02
      3   0.127119D+01 -0.600268D+00  0.794195D+00  0.759330D+00 -0.219784D+02
      4   0.197947D+01  0.733972D+00  0.446326D+00  0.136389D+02 -0.216859D+02
      5   0.106476D+02  0.102444D+02  0.137603D+02  0.129619D+01 -0.308069D+01
      6   0.168891D+02  0.442943D+01  0.141452D+02  0.133048D+01  0.547219D+00
                56            57            58            59            60 
      1  -0.967157D+01 -0.132233D+01  0.612633D+01  0.126444D+02 -0.777386D+00
      2   0.316525D+01  0.219415D+01 -0.681762D+01 -0.449300D+01 -0.949984D-01
      3   0.650632D+01 -0.871824D+00  0.691287D+00 -0.815139D+01  0.872384D+00
      4   0.204870D+02  0.154532D+01  0.213247D+02 -0.419032D+01 -0.116228D+01
      5   0.114865D+01  0.175318D+02 -0.243811D+00 -0.131937D+01 -0.432071D+01
      6  -0.152107D+00 -0.480306D+01 -0.815436D+00  0.508371D+00  0.779240D+01
                61            62            63            64            65 
      1  -0.201256D+01  0.107306D+01  0.688340D+01  0.143663D+01  0.238555D+00
      2   0.228253D+01 -0.293452D+00 -0.899315D+01 -0.370317D+01 -0.887738D-01
      3  -0.269969D+00 -0.779606D+00  0.210975D+01  0.226654D+01 -0.149781D+00
      4   0.182653D+01 -0.154486D+01 -0.618176D+01 -0.136693D+00  0.503269D+00
      5   0.162675D+02 -0.680638D+01 -0.560815D+01 -0.169465D+00 -0.265303D+00
      6  -0.199296D+01  0.512405D+01  0.111353D+01 -0.392713D+00  0.237341D+00
                66            67            68            69            70 
      1   0.121566D+01  0.359263D+00 -0.439718D+01 -0.214301D+00  0.129535D+01
      2   0.588175D+00  0.456656D+00  0.953542D+00 -0.832454D+00  0.941047D+00
      3  -0.180383D+01 -0.815920D+00  0.344364D+01  0.104675D+01 -0.223640D+01
      4  -0.462944D+00  0.217166D+01 -0.796030D+00  0.292066D+00  0.102799D+01
      5   0.396451D+01  0.198273D+00  0.739625D-01 -0.381924D+00  0.401285D+01
      6   0.225038D+00  0.212253D+00  0.444416D+00  0.603256D+01  0.124737D+00
                71            72            73            74            75 
      1   0.154254D+01 -0.175461D+02  0.189027D+01 -0.319512D+00  0.339939D+01
      2  -0.925505D+00 -0.123128D+02 -0.399161D+01  0.856190D-01  0.802404D+00
      3  -0.617039D+00  0.298589D+02  0.210134D+01  0.233893D+00 -0.420180D+01
      4   0.796074D+00 -0.390266D+00  0.243825D+00  0.232114D+01 -0.778268D+00
      5   0.108087D+00  0.130537D+01 -0.186996D+01  0.140942D-01  0.675332D+01
      6   0.400098D+01 -0.251284D+01 -0.557099D+00 -0.925720D+00  0.129023D+01
                76            77            78            79            80 
      1   0.244009D+01 -0.494180D+01  0.165299D+01  0.111454D+02  0.523064D+01
      2  -0.882728D+00  0.248225D+01 -0.131128D+01 -0.194577D+01 -0.116080D+01
      3  -0.155736D+01  0.245955D+01 -0.341711D+00 -0.919963D+01 -0.406984D+01
      4   0.178871D+00  0.196045D-01  0.838370D+00 -0.194330D+01  0.514082D+00
      5  -0.461175D+00  0.813920D+00  0.547289D+00  0.181997D+01 -0.213242D+01
      6  -0.926498D+00 -0.204914D+01  0.477955D+01  0.242947D+01  0.576097D+01
                81            82            83            84            85 
      1  -0.243661D+02  0.247205D+01 -0.125077D+01 -0.185653D+00 -0.786443D+01
      2  -0.619078D+01  0.845880D+00  0.152998D+01  0.822271D+00  0.701384D+01
      3   0.305569D+02 -0.331793D+01 -0.279207D+00 -0.636618D+00  0.850589D+00
      4  -0.628269D+00  0.138096D+01  0.478874D+01  0.115818D+01  0.244051D+01
      5   0.521733D+01  0.336581D+00  0.605219D+00  0.208280D+01 -0.445982D+00
      6  -0.112968D+02  0.135645D+01  0.880777D-01  0.227365D+00 -0.507869D-01
                86            87            88            89            90 
      1  -0.197174D+02 -0.645188D+00 -0.434598D+01 -0.390993D+01 -0.489713D+01
      2   0.281326D+02  0.237269D+01  0.354594D+01  0.502520D+01  0.295101D+01
      3  -0.841519D+01 -0.172750D+01  0.800032D+00 -0.111527D+01  0.194612D+01
      4  -0.750801D+01  0.109186D+00  0.511717D+00 -0.213189D+01 -0.907983D+00
      5  -0.225591D+00 -0.860959D+00  0.386297D+00 -0.112103D+01 -0.818514D+00
      6   0.580024D+00  0.393175D+01  0.104767D+01  0.494303D+01  0.115679D+01
                91            92            93            94            95 
      1  -0.143603D+02 -0.381130D+01  0.150956D+00 -0.176685D+02 -0.647214D+01
      2   0.115146D+02  0.401227D+00 -0.146010D+00  0.942016D+01  0.984417D+01
      3   0.284573D+01  0.341007D+01 -0.494644D-02  0.824833D+01 -0.337204D+01
      4  -0.345057D+01 -0.674526D+00 -0.393666D+00  0.703836D+01 -0.194308D+02
      5   0.972943D+00  0.182313D+00 -0.178336D+01  0.145073D+01 -0.368581D+00
      6  -0.152186D+00 -0.149560D+00 -0.186655D+01 -0.257404D+00  0.743105D+00
                96            97            98            99           100 
      1   0.193188D+00  0.712228D+00 -0.163081D+00 -0.586832D+00 -0.206149D+01
      2  -0.129021D+00 -0.392883D+00  0.661689D-01 -0.550122D-01  0.513788D+01
      3  -0.641675D-01 -0.319344D+00  0.969119D-01  0.641844D+00 -0.307639D+01
      4  -0.954488D+00  0.307080D-01 -0.343930D+00 -0.281913D+01  0.605400D+01
      5  -0.463434D+01  0.328493D+01 -0.257902D+01 -0.416882D+00 -0.187336D+01
      6   0.175402D+01 -0.165911D+01  0.255220D+01  0.234409D+00 -0.461997D+01
               101           102           103           104           105 
      1  -0.734039D+01  0.187970D+01 -0.476121D+01 -0.104479D+02  0.337222D+01
      2   0.115194D+02 -0.333662D+01  0.764414D+01  0.166902D+02 -0.560332D+01
      3  -0.417903D+01  0.145692D+01 -0.288293D+01 -0.624223D+01  0.223110D+01
      4   0.805360D+01 -0.309932D+01  0.834989D+01  0.698254D+01 -0.298694D+01
      5  -0.167698D+01  0.195100D+01 -0.348701D+00 -0.151377D+01  0.127608D+01
      6  -0.548091D+01  0.597313D+01 -0.444652D+01 -0.745912D+01  0.652722D+01
               106           107           108           109           110 
      1   0.271708D+01  0.668387D+01 -0.613737D+01 -0.119722D+01 -0.331705D+01
      2  -0.361142D+01 -0.830723D+01  0.430784D+01  0.785912D+00  0.372059D+01
      3   0.894336D+00  0.162336D+01  0.182953D+01  0.411306D+00 -0.403540D+00
      4  -0.494989D+01 -0.392972D+01  0.412610D+01  0.112559D+01  0.331114D+01
      5   0.202861D+01  0.170484D+01 -0.196614D+01  0.138499D+01  0.987864D+00
      6   0.557122D+01  0.935807D+01 -0.803919D+01  0.236455D+01  0.328480D+01
               111           112           113           114           115 
      1  -0.249050D+01 -0.600443D+00 -0.388627D+01 -0.221360D+01 -0.146248D+01
      2   0.100584D+01  0.100421D+01  0.452685D+01  0.273663D+01 -0.380368D+00
      3   0.148466D+01 -0.403762D+00 -0.640583D+00 -0.523035D+00  0.184285D+01
      4   0.211072D+01  0.364426D+01  0.208124D+01  0.171939D+01  0.465048D+01
      5   0.197431D+01  0.239802D+00  0.981019D+00  0.135721D+01  0.231434D+01
      6   0.575497D+01  0.224343D+01  0.333865D+01  0.584062D+01  0.568315D+01
               116           117           118           119           120 
      1  -0.643686D+01 -0.968457D+01  0.342686D+02 -0.191416D+02  0.884066D+01
      2   0.520146D+01 -0.863751D+00 -0.141384D+02  0.735519D+01 -0.391211D+01
      3   0.123541D+01  0.105483D+02 -0.201303D+02  0.117864D+02 -0.492855D+01
      4   0.189204D+01  0.385409D+01 -0.263371D+02  0.228885D+02 -0.675380D+01
      5   0.107371D+01  0.181769D+01  0.110210D+02 -0.652352D+01  0.101409D+02
      6   0.843536D+01  0.185195D+02 -0.332627D+01  0.158070D+01 -0.145466D+01
               121           122           123           124           125 
      1  -0.220564D+02  0.139683D+02 -0.619142D+01  0.923712D+01 -0.576489D+01
      2   0.599652D+01  0.211667D+01  0.740777D+00 -0.455510D+01  0.282068D+01
      3   0.160599D+02 -0.160850D+02  0.545064D+01 -0.468202D+01  0.294421D+01
      4   0.300233D+02 -0.334152D+02  0.127574D+02 -0.116500D+02  0.140416D+02
      5  -0.109758D+02  0.126315D+02 -0.101183D+02  0.102145D+02 -0.769738D+01
      6   0.377353D+01 -0.514391D+01  0.440284D+01 -0.370729D+01  0.611983D+01
               126 
      1   0.270200D+01
      2  -0.245085D+01
      3  -0.251147D+00
      4  -0.755216D+01
      5   0.604027D+01
      6  -0.386218D+01
 Leave Link  716 at Mon Aug 16 21:30:11 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.919358D+02 -0.610030D+00 -0.107865D+01
      2  -0.610030D+00  0.769771D+02  0.188712D+00
      3  -0.107865D+01  0.188712D+00  0.604352D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.208899D+00 -0.300930D+01 -0.185813D+01
      2   0.339590D+01 -0.127578D+01  0.320441D+02
      3   0.611333D+01 -0.102156D+02  0.184466D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.879048D+02 -0.531035D+01  0.233206D+01
      2  -0.515370D+02  0.541299D+00 -0.222424D+00
      3  -0.363678D+02  0.476905D+01 -0.210964D+01
      4  -0.670255D+01  0.113961D+02 -0.477529D+01
      5   0.624436D+01 -0.630776D+01  0.605290D+02
      6  -0.150527D+01  0.337084D+01  0.387123D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.914518D+01 -0.291886D+01  0.135529D+01 -0.366749D+01  0.852619D+00
      2  -0.291886D+01  0.150057D+00 -0.519914D+00  0.852619D+00  0.266644D+01
      3   0.135529D+01 -0.519914D+00 -0.721511D+00  0.709557D+00  0.105010D+01
                 6             7             8             9            10 
      1   0.709557D+00  0.223409D+01  0.432278D+00  0.185626D+01  0.101207D+02
      2   0.105010D+01  0.432278D+00  0.218519D+01  0.953479D+00  0.522759D+01
      3  -0.328932D+00  0.185626D+01  0.953479D+00 -0.560713D+01 -0.273648D+01
                11            12            13            14            15 
      1   0.522759D+01 -0.273648D+01  0.819992D+01  0.319922D+00  0.967784D+00
      2  -0.459297D+00  0.101165D+01  0.319922D+00  0.581970D+01 -0.261144D+01
      3   0.101165D+01  0.137635D+01  0.967784D+00 -0.261144D+01  0.205454D+01
                16            17            18            19            20 
      1  -0.427223D+01  0.840169D+00  0.299151D+01  0.343320D+01  0.270239D+01
      2   0.840169D+00 -0.301201D+01  0.997527D+00  0.270239D+01 -0.130052D+01
      3   0.299151D+01  0.997527D+00 -0.143723D+01 -0.311388D+00  0.418410D+00
                21            22            23            24            25 
      1  -0.311388D+00  0.334758D+01  0.352141D+00  0.511655D-01 -0.103949D+01
      2   0.418410D+00  0.352141D+00 -0.253834D+01 -0.502301D+00  0.922104D+00
      3  -0.585851D+00  0.511655D-01 -0.502301D+00  0.550637D+00 -0.465239D+00
                26            27            28            29            30 
      1   0.922104D+00 -0.465239D+00 -0.131798D+01 -0.163432D+01  0.635548D+00
      2  -0.115989D+01 -0.328178D-03 -0.163432D+01 -0.159785D+01  0.840042D-01
      3  -0.328178D-03  0.563981D+01  0.635548D+00  0.840042D-01 -0.182162D+01
                31            32            33            34            35 
      1  -0.102810D+01 -0.203600D+01  0.277945D+00  0.872237D+00  0.286190D+00
      2  -0.203600D+01  0.402766D+01  0.800812D+00  0.286190D+00  0.998574D+00
      3   0.277945D+00  0.800812D+00 -0.986885D+00 -0.204859D+01 -0.763566D+00
                36            37            38            39            40 
      1  -0.204859D+01 -0.299908D+01 -0.205286D+01 -0.112899D+00 -0.117065D+01
      2  -0.763566D+00 -0.205286D+01  0.134323D+01  0.853518D-01  0.256858D+01
      3  -0.280140D+01 -0.112899D+00  0.853518D-01 -0.288375D+00  0.173179D+00
                41            42            43            44            45 
      1   0.256858D+01  0.173179D+00  0.746846D+00  0.276833D+00 -0.245445D+00
      2   0.595740D+01  0.206182D+00  0.276833D+00  0.587578D+00  0.283593D+00
      3   0.206182D+00  0.303580D+00 -0.245445D+00  0.283593D+00 -0.373664D+00
                46            47            48            49            50 
      1  -0.201534D+01 -0.325637D+01 -0.179710D+00 -0.456765D+01 -0.305873D+01
      2  -0.325637D+01 -0.263082D+01 -0.224161D+00 -0.305873D+01 -0.129728D+02
      3  -0.179710D+00 -0.224161D+00 -0.179285D+00 -0.138558D+00 -0.364258D+00
                51            52            53            54            55 
      1  -0.138558D+00 -0.397967D+00 -0.118971D+00 -0.115138D+01 -0.826415D+01
      2  -0.364258D+00 -0.118971D+00 -0.206637D+00 -0.314134D+01  0.192451D+01
      3  -0.233977D+01 -0.115138D+01 -0.314134D+01 -0.231298D+00  0.502406D+00
                56            57            58            59            60 
      1   0.192451D+01  0.502406D+00 -0.187405D+01 -0.397502D+01 -0.566294D-01
      2  -0.244621D+01 -0.164174D+00 -0.397502D+01 -0.672737D+00  0.694977D-01
      3  -0.164174D+00 -0.984792D+00 -0.566294D-01  0.694977D-01  0.492291D+00
                61            62            63            64            65 
      1   0.845021D+00 -0.257446D+00 -0.188658D+01  0.596142D+00 -0.566651D+00
      2  -0.257446D+00  0.164114D-01  0.121668D+01 -0.566651D+00  0.308906D+00
      3  -0.188658D+01  0.121668D+01  0.805797D+00 -0.803307D+00 -0.107201D+00
                66            67            68            69            70 
      1  -0.803307D+00 -0.996270D+00  0.122451D+00  0.778787D-01 -0.213266D+01
      2  -0.107201D+00  0.122451D+00  0.490428D+00 -0.945353D+00 -0.107551D+00
      3   0.682759D+00  0.778787D-01 -0.945353D+00 -0.292131D+00  0.398371D-01
                71            72            73            74            75 
      1  -0.107551D+00  0.398371D-01 -0.191113D+00  0.133092D+00  0.876694D+00
      2  -0.141911D+01  0.102933D+00  0.133092D+00 -0.133640D+00  0.200017D+00
      3   0.102933D+00 -0.731163D+01  0.876694D+00  0.200017D+00 -0.672181D+00
                76            77            78            79            80 
      1   0.944175D+00 -0.408011D+00 -0.217580D-01  0.302398D+01  0.181717D+00
      2  -0.408011D+00 -0.593394D+00  0.872611D+00  0.181717D+00  0.115472D+01
      3  -0.217580D-01  0.872611D+00  0.158029D+00 -0.168123D+01 -0.139450D+01
                81            82            83            84            85 
      1  -0.168123D+01 -0.423033D+00 -0.437339D+00 -0.416250D+00 -0.226559D+01
      2  -0.139450D+01 -0.437339D+00 -0.156306D+00  0.921722D-01 -0.962077D+00
      3   0.729501D+01 -0.416250D+00  0.921722D-01 -0.688847D-02 -0.572732D-01
                86            87            88            89            90 
      1  -0.962077D+00 -0.572732D-01 -0.172003D+01 -0.237822D+00 -0.383426D+00
      2  -0.683705D+01 -0.449192D+00 -0.237822D+00 -0.144519D+01 -0.104232D+01
      3  -0.449192D+00 -0.929207D+00 -0.383426D+00 -0.104232D+01 -0.905695D-01
                91            92            93            94            95 
      1   0.196562D+01  0.196953D+01 -0.119548D+00  0.508386D+01  0.102211D+00
      2   0.196953D+01  0.470277D+00  0.101954D+00  0.102211D+00  0.462895D+01
      3  -0.119548D+00  0.101954D+00 -0.378521D+00 -0.163460D+00  0.234187D+00
                96            97            98            99           100 
      1  -0.163460D+00 -0.127334D+00 -0.730979D-01 -0.687269D+00  0.191618D+01
      2   0.234187D+00 -0.730979D-01  0.702768D-01  0.566783D+00  0.161408D+01
      3   0.911635D+00 -0.687269D+00  0.566783D+00  0.171847D+00 -0.737163D+00
               101           102           103           104           105 
      1   0.161408D+01 -0.737163D+00  0.225969D+01  0.176077D+01 -0.742625D+00
      2   0.267062D+01 -0.865318D+00  0.176077D+01  0.371489D+01 -0.105244D+01
      3  -0.865318D+00  0.107583D+01 -0.742625D+00 -0.105244D+01  0.134660D+01
               106           107           108           109           110 
      1  -0.208597D+01 -0.100365D+01  0.102922D+01  0.332471D+00  0.553253D+00
      2  -0.100365D+01 -0.230776D+01  0.154451D+01  0.553253D+00  0.861511D+00
      3   0.102922D+01  0.154451D+01 -0.177573D+01  0.620749D+00  0.711597D+00
               111           112           113           114           115 
      1   0.620749D+00  0.610268D+00  0.371274D+00  0.376885D+00  0.197155D+01
      2   0.711597D+00  0.371274D+00  0.128238D+01  0.726798D+00  0.337260D+00
      3   0.117361D+01  0.376885D+00  0.726798D+00  0.851986D+00  0.133666D+01
               116           117           118           119           120 
      1   0.337260D+00  0.133666D+01  0.599154D+01 -0.325804D+01  0.142606D+01
      2   0.223399D+01  0.166005D+01 -0.325804D+01  0.292005D+01 -0.824394D+00
      3   0.166005D+01  0.500573D+01  0.142606D+01 -0.824394D+00  0.133048D+01
               121           122           123           124           125 
      1  -0.487566D+01  0.398987D+01 -0.145409D+01  0.208195D+01 -0.147802D+01
      2   0.398987D+01 -0.497354D+01  0.196479D+01 -0.147802D+01  0.230385D+01
      3  -0.145409D+01  0.196479D+01 -0.179237D+01  0.129568D+01 -0.983490D+00
               126 
      1   0.129568D+01
      2  -0.983490D+00
      3   0.710445D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.949381D+00 -0.126570D+01  0.460838D+00  0.261016D+00  0.491664D+01
      2   0.578316D+01 -0.129359D+01 -0.219449D+01  0.165350D+01 -0.288581D+00
      3   0.613196D+01  0.316363D+01  0.750696D+00  0.120418D+02 -0.300274D+01
                 6             7             8             9            10 
      1  -0.297312D+01  0.438493D+01  0.358963D+01 -0.443459D+01 -0.346463D-01
      2  -0.134687D+01 -0.752831D+01 -0.613203D+00 -0.221385D+01 -0.115618D+02
      3  -0.278387D+01 -0.280128D+01 -0.264929D+01 -0.298030D+01 -0.202391D+02
                11            12            13            14            15 
      1   0.171704D+01  0.562384D+00  0.122453D+01  0.936253D+00 -0.591288D+01
      2   0.218700D+01  0.759809D+01  0.931862D+00 -0.754388D+01  0.666096D+01
      3  -0.227616D+01 -0.119865D+01  0.167630D+02 -0.197721D+02  0.700169D+01
                16            17            18            19            20 
      1  -0.206653D+00  0.981244D+01 -0.168224D+01 -0.186706D+01  0.479750D+00
      2  -0.103202D+02  0.378278D+01 -0.255829D+01  0.130705D+01 -0.732145D+00
      3  -0.249861D+00  0.856099D+01 -0.371872D+01  0.186440D+01 -0.602918D+01
                21            22            23            24            25 
      1  -0.771595D+00  0.276814D+00  0.358675D+00 -0.500582D+00 -0.204886D+01
      2   0.316857D+01  0.170289D+01 -0.113417D+01  0.320671D+01 -0.333922D+01
      3   0.644161D+00 -0.200270D+01 -0.238610D+01  0.274739D+00 -0.227161D+00
                26            27            28            29            30 
      1   0.420104D+01 -0.189985D+00 -0.142070D+01 -0.129420D+01  0.546632D+01
      2   0.729302D-02 -0.394463D+01 -0.335011D-01  0.111543D+01  0.546173D+01
      3   0.191537D+01  0.509909D+00 -0.310369D+01 -0.125330D+02  0.933277D+00
                31            32            33            34            35 
      1  -0.240033D+01 -0.382574D+01 -0.222661D+01  0.531040D+01  0.669042D+01
      2   0.177782D+00  0.346097D+00 -0.129481D+01 -0.232565D+01 -0.138650D+00
      3   0.114671D+01  0.401590D+00  0.147238D+01  0.234759D+01  0.175419D+01
                36            37            38            39            40 
      1   0.515629D+01  0.108277D+01  0.892123D+00  0.143788D+00  0.165259D+01
      2   0.217911D+01 -0.392576D+01 -0.149260D+00 -0.618404D+01 -0.111867D-01
      3  -0.611021D+01 -0.678785D+01  0.123646D+01 -0.148368D+00  0.126087D+00
                41            42            43            44            45 
      1  -0.591882D+00  0.921292D+01  0.182656D-01  0.938909D+01  0.901267D+00
      2   0.116550D+01 -0.218437D+01 -0.189500D+02 -0.176297D+01  0.347306D+01
      3   0.121422D+02 -0.993735D+00  0.689003D+00 -0.187567D+01  0.987606D+00
                46            47            48            49            50 
      1   0.164574D+00  0.171868D+00 -0.275910D+01  0.838812D-01  0.117681D+01
      2   0.283390D+00  0.480953D+00  0.543064D+01 -0.169830D+01 -0.340783D+00
      3  -0.175342D+01 -0.638741D+01 -0.426317D+00  0.101847D+02 -0.234804D+02
                51            52            53            54            55 
      1  -0.108331D+02 -0.553207D+00  0.883023D+00 -0.113058D+00 -0.978932D+00
      2   0.548662D+01  0.305829D+01  0.583313D+01 -0.266214D+00  0.125643D+00
      3  -0.972704D-01 -0.100654D+01  0.614167D-01 -0.570100D+01 -0.507807D+01
                56            57            58            59            60 
      1  -0.903483D+00  0.287400D+01 -0.418830D+00 -0.642442D+00 -0.389466D+01
      2   0.770409D+00  0.938846D+01  0.137224D+01 -0.102402D+00 -0.140427D+01
      3  -0.167984D+02 -0.385609D+00 -0.126894D+02 -0.860158D+01  0.142329D+00
                61            62            63            64            65 
      1   0.627042D+00  0.209961D+01 -0.565709D+00  0.451368D+00 -0.715022D+00
      2   0.649461D+01 -0.154097D+01 -0.285826D+01  0.222452D+01 -0.363877D+00
      3   0.174363D+00  0.160808D+01  0.248184D+01  0.219891D+00 -0.248009D+00
                66            67            68            69            70 
      1   0.103972D+00 -0.320275D+00 -0.502557D+00 -0.265034D+00  0.300038D+00
      2   0.682545D-01 -0.491380D+00  0.739961D+00 -0.318875D+00 -0.346622D+01
      3  -0.299160D+00  0.179910D+01  0.317375D-01 -0.130871D+00 -0.229795D-01
                71            72            73            74            75 
      1   0.270186D+01  0.940613D+00  0.975537D+00 -0.967747D+00 -0.109808D+01
      2   0.138495D-01  0.244765D+01  0.161054D+01  0.538002D+00  0.197503D+01
      3  -0.484319D+00  0.435902D+00  0.107137D+01 -0.166004D+01 -0.123237D+01
                76            77            78            79            80 
      1  -0.714552D+00  0.107780D+00 -0.154341D+00 -0.185611D+01  0.162484D+01
      2  -0.131915D+00  0.109349D+01  0.416061D+00 -0.429356D+01 -0.512983D+00
      3   0.273754D-01  0.217185D+00 -0.481174D+00 -0.324805D+01 -0.587116D+00
                81            82            83            84            85 
      1   0.602107D+01 -0.102204D+01 -0.329345D+00 -0.792878D+00 -0.692446D+00
      2   0.427620D+01  0.171069D-01  0.684867D+00  0.162098D+01  0.833694D+00
      3   0.304075D+01  0.269024D+01 -0.261947D+00  0.765938D-02  0.558589D+01
                86            87            88            89            90 
      1  -0.341395D+01 -0.291186D+01 -0.836131D+00 -0.103480D+01 -0.181963D+00
      2   0.113268D+01 -0.422185D+00 -0.860281D+00 -0.289358D+00 -0.593568D+00
      3   0.618806D+01  0.878017D+00  0.240192D+01  0.164312D+01  0.132487D+01
                91            92            93            94            95 
      1   0.720649D+00  0.663175D+00  0.892820D+00  0.549245D+00  0.917955D+00
      2  -0.717647D+00 -0.800609D+00 -0.149003D+01 -0.577361D+00 -0.101505D+01
      3   0.866283D+01  0.993978D+01  0.125835D+00  0.129325D+02  0.175407D+02
                96            97            98            99           100 
      1  -0.112268D+01  0.100061D+01  0.114991D+01  0.916428D-01  0.192995D+01
      2  -0.260718D+01 -0.180125D+01 -0.181927D+01 -0.909557D-01  0.137873D+01
      3   0.671771D+00 -0.257992D+00 -0.408668D+00 -0.606374D-02  0.655186D+01
               101           102           103           104           105 
      1   0.183698D+01 -0.338125D+01  0.196201D+01  0.232708D+01 -0.311364D+01
      2  -0.149191D+00 -0.116352D+00  0.207115D+00  0.546382D+00  0.525010D+00
      3   0.313098D+01 -0.198768D+01  0.704816D+01  0.403348D+01 -0.241398D+01
               106           107           108           109           110 
      1  -0.296202D+01 -0.198764D+01  0.346973D+01 -0.134831D+01 -0.498511D+00
      2  -0.195979D+01  0.807788D-01 -0.223460D+00 -0.168995D+01  0.263608D+00
      3  -0.599913D+01 -0.288283D+01  0.311490D+01  0.219570D+01  0.639397D+00
               111           112           113           114           115 
      1  -0.311051D+01 -0.405696D+00 -0.166897D+01 -0.210006D+01 -0.372624D+01
      2  -0.438745D+00  0.219409D-01 -0.473913D+00  0.333573D+00 -0.306148D+01
      3   0.114805D+01  0.202314D+01  0.682823D+00  0.104776D+01  0.470974D+01
               116           117           118           119           120 
      1  -0.156704D+01 -0.103535D+02  0.397463D+00  0.213065D+00  0.140930D+01
      2  -0.263119D+00 -0.187901D+01  0.465974D+01 -0.245752D+01  0.592911D+01
      3   0.119478D+01  0.433092D+01  0.787869D+01 -0.104053D+02  0.197353D+01
               121           122           123           124           125 
      1  -0.519177D+00 -0.189727D+00 -0.342155D+01  0.243121D+00  0.936865D+00
      2  -0.399088D+01  0.587466D+01 -0.705037D+01  0.238458D+01 -0.247166D+01
      3  -0.901801D+01  0.156995D+02 -0.512659D+01  0.349038D+01 -0.785005D+01
               126 
      1   0.103538D+01
      2   0.279102D+01
      3   0.228959D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.425656D+02 -0.510261D+01  0.213802D+01 -0.101245D+02  0.768811D+01
      2   0.235727D+02  0.303511D+01 -0.271480D+01  0.583370D+01 -0.103046D+02
      3   0.189929D+02  0.206750D+01  0.576782D+00  0.429079D+01  0.261644D+01
      4  -0.479154D+01 -0.586349D+01 -0.239344D+01  0.686827D+01  0.145194D+01
      5   0.651061D+01 -0.187835D+01 -0.997794D+01  0.412942D+01  0.130616D+01
      6  -0.331495D+01  0.188172D+01 -0.138472D+01  0.106985D+01 -0.407687D+01
                 6             7             8             9            10 
      1   0.618626D+01  0.624360D+01  0.545986D+01  0.150151D+02  0.654108D+02
      2  -0.554141D+01 -0.652771D+01 -0.522715D+01 -0.181005D+01 -0.383333D+02
      3  -0.644853D+00  0.284103D+00 -0.232708D+00 -0.132050D+02 -0.270775D+02
      4   0.826046D+00  0.302299D+01  0.495118D+01  0.107283D+01  0.273450D+02
      5  -0.428019D+01  0.787001D+01  0.184250D+01 -0.423998D+01 -0.166926D+02
      6   0.302904D+01 -0.249804D+01  0.166277D+01  0.509757D+01  0.407810D+01
                11            12            13            14            15 
      1   0.259812D+02 -0.152447D+02  0.368321D+02 -0.953136D+01  0.108768D+01
      2  -0.133640D+02  0.589443D+01 -0.189011D+02  0.119958D+02  0.193177D+01
      3  -0.126172D+02  0.935032D+01 -0.179310D+02 -0.246448D+01 -0.301945D+01
      4   0.718455D+01  0.736225D+01  0.106175D+02  0.305650D+02 -0.149135D+02
      5   0.651915D+01  0.213294D+02  0.728969D+01 -0.143895D+02  0.116058D+02
      6  -0.165291D+01  0.327431D+00 -0.350542D+01  0.724660D+01  0.144456D+02
                16            17            18            19            20 
      1  -0.187690D+02  0.137388D+00 -0.257899D+01 -0.971056D+00 -0.108189D+01
      2   0.816937D+01 -0.273767D+00 -0.175239D+02  0.347741D+01  0.263826D-01
      3   0.105996D+02  0.136379D+00  0.201029D+02 -0.250635D+01  0.105550D+01
      4   0.844101D+01 -0.166454D+02  0.565070D+01 -0.391479D+01  0.518004D+01
      5   0.288205D+02  0.660591D+01 -0.571155D+01  0.528952D+00  0.579311D+00
      6   0.549880D+00  0.121787D+02  0.628652D+01  0.819553D+00 -0.167222D+01
                21            22            23            24            25 
      1  -0.106049D+01  0.506944D+01  0.416059D+01  0.678928D+00 -0.615477D+01
      2  -0.486077D+00 -0.203794D+01 -0.750212D+01 -0.241026D+00  0.261882D+01
      3   0.154656D+01 -0.303150D+01  0.334152D+01 -0.437902D+00  0.353595D+01
      4   0.322243D+00 -0.781897D+01  0.668414D+01  0.694115D+00 -0.156028D+01
      5   0.190865D+01  0.331523D+00  0.116244D+01  0.403616D+01 -0.131428D+01
      6  -0.718218D-02 -0.152168D+01 -0.596718D-01 -0.298905D+01  0.155525D+00
                26            27            28            29            30 
      1   0.808424D+00  0.617303D+01  0.173769D+02  0.474284D+01  0.907596D+00
      2  -0.359212D+01  0.851283D+01 -0.131944D+02 -0.779204D+01  0.247364D+01
      3   0.278370D+01 -0.146859D+02 -0.418249D+01  0.304920D+01 -0.338124D+01
      4  -0.116131D+01  0.195623D+00 -0.404787D+01 -0.198842D+01  0.131517D+01
      5  -0.730432D+00 -0.168397D+01  0.359800D+00  0.660625D+00  0.439366D+01
      6   0.873233D+00  0.125659D+01  0.286397D+01  0.267864D+01 -0.964830D+01
                31            32            33            34            35 
      1   0.199966D+01 -0.144931D+02 -0.245419D+01 -0.157886D+01 -0.164201D+01
      2  -0.713490D+01  0.234524D+02  0.482356D+01  0.360400D+01  0.585765D+01
      3   0.513525D+01 -0.895932D+01 -0.236937D+01 -0.202514D+01 -0.421564D+01
      4   0.346648D+01 -0.113332D+02  0.545108D+00  0.221622D+01  0.159742D+01
      5   0.393302D+00 -0.314573D+00 -0.279654D+01  0.367717D+01 -0.271380D+01
      6   0.244478D+01  0.578000D+01  0.155702D+01 -0.102126D+02 -0.184402D+01
                36            37            38            39            40 
      1   0.331028D+01 -0.653492D+01  0.120947D+02  0.343552D+00 -0.678892D+00
      2  -0.273278D+01  0.174958D+01 -0.113333D+02 -0.277770D+01 -0.423801D+01
      3  -0.577500D+00  0.478534D+01 -0.761448D+00  0.243415D+01  0.491690D+01
      4  -0.778724D+01  0.718734D+01 -0.136992D+02 -0.129224D+01 -0.249762D+02
      5  -0.886723D-01 -0.108195D+00 -0.204547D+01 -0.845516D+01 -0.349482D+01
      6  -0.809118D+01 -0.545028D+00 -0.624341D+00  0.166997D+01 -0.777503D+00
                41            42            43            44            45 
      1   0.576524D+01  0.909482D+00  0.371516D+01 -0.248661D+01 -0.508087D+01
      2  -0.174942D+02  0.960400D+00 -0.365286D+01  0.819047D+00 -0.586526D+01
      3   0.117290D+02 -0.186988D+01 -0.623007D-01  0.166757D+01  0.109461D+02
      4  -0.286040D+02 -0.822602D+00 -0.235820D+01  0.151840D+01 -0.227142D+01
      5  -0.174288D+01 -0.207719D+01  0.230901D+01 -0.192492D+01  0.377836D+01
      6  -0.218599D+01 -0.135575D+02 -0.531124D+00  0.366664D+01 -0.100449D+01
                46            47            48            49            50 
      1   0.126356D+02  0.716606D+01 -0.100307D-01  0.113341D+02 -0.216576D+02
      2  -0.221128D+01  0.214596D+01  0.311514D+00  0.182973D+01  0.422355D+02
      3  -0.104243D+02 -0.931201D+01 -0.301483D+00 -0.131638D+02 -0.205780D+02
      4   0.204178D+02  0.244847D+02  0.154851D+01  0.286073D+02  0.568831D+02
      5   0.160071D+01  0.188111D+01  0.862124D+01  0.193751D+01  0.290526D+01
      6   0.878365D+00  0.906488D+00  0.369634D+01  0.147874D+01  0.252224D+01
                51            52            53            54            55 
      1  -0.171048D+01 -0.232307D-01 -0.658204D+00 -0.349590D+01  0.547808D+02
      2   0.439293D+00  0.623499D+00 -0.135992D+00  0.273657D+01 -0.328024D+02
      3   0.127119D+01 -0.600268D+00  0.794195D+00  0.759330D+00 -0.219784D+02
      4   0.197947D+01  0.733972D+00  0.446326D+00  0.136389D+02 -0.216859D+02
      5   0.106476D+02  0.102444D+02  0.137603D+02  0.129619D+01 -0.308069D+01
      6   0.168891D+02  0.442943D+01  0.141452D+02  0.133048D+01  0.547219D+00
                56            57            58            59            60 
      1  -0.967157D+01 -0.132233D+01  0.612633D+01  0.126444D+02 -0.777386D+00
      2   0.316525D+01  0.219415D+01 -0.681762D+01 -0.449300D+01 -0.949984D-01
      3   0.650632D+01 -0.871824D+00  0.691287D+00 -0.815139D+01  0.872384D+00
      4   0.204870D+02  0.154532D+01  0.213247D+02 -0.419032D+01 -0.116228D+01
      5   0.114865D+01  0.175318D+02 -0.243811D+00 -0.131937D+01 -0.432071D+01
      6  -0.152107D+00 -0.480306D+01 -0.815436D+00  0.508371D+00  0.779240D+01
                61            62            63            64            65 
      1  -0.201256D+01  0.107306D+01  0.688340D+01  0.143663D+01  0.238555D+00
      2   0.228253D+01 -0.293452D+00 -0.899315D+01 -0.370317D+01 -0.887738D-01
      3  -0.269969D+00 -0.779606D+00  0.210975D+01  0.226654D+01 -0.149781D+00
      4   0.182653D+01 -0.154486D+01 -0.618176D+01 -0.136693D+00  0.503269D+00
      5   0.162675D+02 -0.680638D+01 -0.560815D+01 -0.169465D+00 -0.265303D+00
      6  -0.199296D+01  0.512405D+01  0.111353D+01 -0.392713D+00  0.237341D+00
                66            67            68            69            70 
      1   0.121566D+01  0.359263D+00 -0.439718D+01 -0.214301D+00  0.129535D+01
      2   0.588175D+00  0.456656D+00  0.953542D+00 -0.832454D+00  0.941047D+00
      3  -0.180383D+01 -0.815920D+00  0.344364D+01  0.104675D+01 -0.223640D+01
      4  -0.462944D+00  0.217166D+01 -0.796030D+00  0.292066D+00  0.102799D+01
      5   0.396451D+01  0.198273D+00  0.739625D-01 -0.381924D+00  0.401285D+01
      6   0.225038D+00  0.212253D+00  0.444416D+00  0.603256D+01  0.124737D+00
                71            72            73            74            75 
      1   0.154254D+01 -0.175461D+02  0.189027D+01 -0.319512D+00  0.339939D+01
      2  -0.925505D+00 -0.123128D+02 -0.399161D+01  0.856190D-01  0.802404D+00
      3  -0.617039D+00  0.298589D+02  0.210134D+01  0.233893D+00 -0.420180D+01
      4   0.796074D+00 -0.390266D+00  0.243825D+00  0.232114D+01 -0.778268D+00
      5   0.108087D+00  0.130537D+01 -0.186996D+01  0.140942D-01  0.675332D+01
      6   0.400098D+01 -0.251284D+01 -0.557099D+00 -0.925720D+00  0.129023D+01
                76            77            78            79            80 
      1   0.244009D+01 -0.494180D+01  0.165299D+01  0.111454D+02  0.523064D+01
      2  -0.882728D+00  0.248225D+01 -0.131128D+01 -0.194577D+01 -0.116080D+01
      3  -0.155736D+01  0.245955D+01 -0.341711D+00 -0.919963D+01 -0.406984D+01
      4   0.178871D+00  0.196045D-01  0.838370D+00 -0.194330D+01  0.514082D+00
      5  -0.461175D+00  0.813920D+00  0.547289D+00  0.181997D+01 -0.213242D+01
      6  -0.926498D+00 -0.204914D+01  0.477955D+01  0.242947D+01  0.576097D+01
                81            82            83            84            85 
      1  -0.243661D+02  0.247205D+01 -0.125077D+01 -0.185653D+00 -0.786443D+01
      2  -0.619078D+01  0.845880D+00  0.152998D+01  0.822271D+00  0.701384D+01
      3   0.305569D+02 -0.331793D+01 -0.279207D+00 -0.636618D+00  0.850589D+00
      4  -0.628269D+00  0.138096D+01  0.478874D+01  0.115818D+01  0.244051D+01
      5   0.521733D+01  0.336581D+00  0.605219D+00  0.208280D+01 -0.445982D+00
      6  -0.112968D+02  0.135645D+01  0.880777D-01  0.227365D+00 -0.507869D-01
                86            87            88            89            90 
      1  -0.197174D+02 -0.645188D+00 -0.434598D+01 -0.390993D+01 -0.489713D+01
      2   0.281326D+02  0.237269D+01  0.354594D+01  0.502520D+01  0.295101D+01
      3  -0.841519D+01 -0.172750D+01  0.800032D+00 -0.111527D+01  0.194612D+01
      4  -0.750801D+01  0.109186D+00  0.511717D+00 -0.213189D+01 -0.907983D+00
      5  -0.225591D+00 -0.860959D+00  0.386297D+00 -0.112103D+01 -0.818514D+00
      6   0.580024D+00  0.393175D+01  0.104767D+01  0.494303D+01  0.115679D+01
                91            92            93            94            95 
      1  -0.143603D+02 -0.381130D+01  0.150956D+00 -0.176685D+02 -0.647214D+01
      2   0.115146D+02  0.401227D+00 -0.146010D+00  0.942016D+01  0.984417D+01
      3   0.284573D+01  0.341007D+01 -0.494644D-02  0.824833D+01 -0.337204D+01
      4  -0.345057D+01 -0.674526D+00 -0.393666D+00  0.703836D+01 -0.194308D+02
      5   0.972943D+00  0.182313D+00 -0.178336D+01  0.145073D+01 -0.368581D+00
      6  -0.152186D+00 -0.149560D+00 -0.186655D+01 -0.257404D+00  0.743105D+00
                96            97            98            99           100 
      1   0.193188D+00  0.712228D+00 -0.163081D+00 -0.586832D+00 -0.206149D+01
      2  -0.129021D+00 -0.392883D+00  0.661689D-01 -0.550122D-01  0.513788D+01
      3  -0.641675D-01 -0.319344D+00  0.969119D-01  0.641844D+00 -0.307639D+01
      4  -0.954488D+00  0.307080D-01 -0.343930D+00 -0.281913D+01  0.605400D+01
      5  -0.463434D+01  0.328493D+01 -0.257902D+01 -0.416882D+00 -0.187336D+01
      6   0.175402D+01 -0.165911D+01  0.255220D+01  0.234409D+00 -0.461997D+01
               101           102           103           104           105 
      1  -0.734039D+01  0.187970D+01 -0.476121D+01 -0.104479D+02  0.337222D+01
      2   0.115194D+02 -0.333662D+01  0.764414D+01  0.166902D+02 -0.560332D+01
      3  -0.417903D+01  0.145692D+01 -0.288293D+01 -0.624223D+01  0.223110D+01
      4   0.805360D+01 -0.309932D+01  0.834989D+01  0.698254D+01 -0.298694D+01
      5  -0.167698D+01  0.195100D+01 -0.348701D+00 -0.151377D+01  0.127608D+01
      6  -0.548091D+01  0.597313D+01 -0.444652D+01 -0.745912D+01  0.652722D+01
               106           107           108           109           110 
      1   0.271708D+01  0.668387D+01 -0.613737D+01 -0.119722D+01 -0.331705D+01
      2  -0.361142D+01 -0.830723D+01  0.430784D+01  0.785912D+00  0.372059D+01
      3   0.894336D+00  0.162336D+01  0.182953D+01  0.411306D+00 -0.403540D+00
      4  -0.494989D+01 -0.392972D+01  0.412610D+01  0.112559D+01  0.331114D+01
      5   0.202861D+01  0.170484D+01 -0.196614D+01  0.138499D+01  0.987864D+00
      6   0.557122D+01  0.935807D+01 -0.803919D+01  0.236455D+01  0.328480D+01
               111           112           113           114           115 
      1  -0.249050D+01 -0.600443D+00 -0.388627D+01 -0.221360D+01 -0.146248D+01
      2   0.100584D+01  0.100421D+01  0.452685D+01  0.273663D+01 -0.380368D+00
      3   0.148466D+01 -0.403762D+00 -0.640583D+00 -0.523035D+00  0.184285D+01
      4   0.211072D+01  0.364426D+01  0.208124D+01  0.171939D+01  0.465048D+01
      5   0.197431D+01  0.239802D+00  0.981019D+00  0.135721D+01  0.231434D+01
      6   0.575497D+01  0.224343D+01  0.333865D+01  0.584062D+01  0.568315D+01
               116           117           118           119           120 
      1  -0.643686D+01 -0.968457D+01  0.342686D+02 -0.191416D+02  0.884066D+01
      2   0.520146D+01 -0.863751D+00 -0.141384D+02  0.735519D+01 -0.391211D+01
      3   0.123541D+01  0.105483D+02 -0.201303D+02  0.117864D+02 -0.492855D+01
      4   0.189204D+01  0.385409D+01 -0.263371D+02  0.228885D+02 -0.675380D+01
      5   0.107371D+01  0.181769D+01  0.110210D+02 -0.652352D+01  0.101409D+02
      6   0.843536D+01  0.185195D+02 -0.332627D+01  0.158070D+01 -0.145466D+01
               121           122           123           124           125 
      1  -0.220564D+02  0.139683D+02 -0.619142D+01  0.923712D+01 -0.576489D+01
      2   0.599652D+01  0.211667D+01  0.740777D+00 -0.455510D+01  0.282068D+01
      3   0.160599D+02 -0.160850D+02  0.545064D+01 -0.468202D+01  0.294421D+01
      4   0.300233D+02 -0.334152D+02  0.127574D+02 -0.116500D+02  0.140416D+02
      5  -0.109758D+02  0.126315D+02 -0.101183D+02  0.102145D+02 -0.769738D+01
      6   0.377353D+01 -0.514391D+01  0.440284D+01 -0.370729D+01  0.611983D+01
               126 
      1   0.270200D+01
      2  -0.245085D+01
      3  -0.251147D+00
      4  -0.755216D+01
      5   0.604027D+01
      6  -0.386218D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.157796D+01      0.401079D+01      0.133785D+02
   x          0.121608D+01      0.309096D+01      0.103103D+02
   y          0.986679D+00      0.250789D+01      0.836541D+01
   z          0.193887D+00      0.492811D+00      0.164384D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.684752D+02      0.101470D+02      0.112900D+02
   aniso      0.287376D+02      0.425847D+01      0.473819D+01
   xx         0.845435D+02      0.125281D+02      0.139393D+02
   yx        -0.518949D+00     -0.769003D-01     -0.855631D-01
   yy         0.692906D+02      0.102678D+02      0.114245D+02
   zx        -0.126238D+01     -0.187066D+00     -0.208139D+00
   zy        -0.120961D+01     -0.179246D+00     -0.199438D+00
   zz         0.515915D+02      0.764508D+01      0.850630D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.764494D+02      0.113286D+02      0.126048D+02
   aniso      0.273781D+02      0.405701D+01      0.451403D+01
   xx         0.919358D+02      0.136235D+02      0.151582D+02
   yx        -0.610030D+00     -0.903971D-01     -0.100580D+00
   yy         0.769771D+02      0.114068D+02      0.126918D+02
   zx        -0.107865D+01     -0.159840D+00     -0.177846D+00
   zy         0.188712D+00      0.279642D-01      0.311144D-01
   zz         0.604352D+02      0.895557D+01      0.996441D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.76920452         -1.90050480          0.49443226
    16          2.39580603         -1.98489434          3.54836589
     6          0.09923340          0.82896459         -0.14103753
     7         -1.57820825          2.09254007          1.66769955
     6         -1.04814862          0.96213429         -2.81937549
     8         -0.27293981         -0.27239688         -4.55741885
     8         -2.93722072          2.62165445         -3.02878550
     1          1.84637537          1.92807387         -0.24672714
     1         -0.94548680         -3.04325689          0.58322092
     1          1.98370407         -2.65509502         -0.97805927
     1         -3.18764397          3.29841363         -1.31358159
     1         -0.60348206          3.01704625          3.02583198
     1         -2.73663425          0.84066197          2.54056092
     1          3.11726669         -4.41293816          3.42651036

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.157796D+01      0.401079D+01      0.133785D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.157796D+01      0.401079D+01      0.133785D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.684752D+02      0.101470D+02      0.112900D+02
   aniso      0.287376D+02      0.425847D+01      0.473819D+01
   xx         0.624898D+02      0.926003D+01      0.103032D+02
   yx        -0.116300D+02     -0.172339D+01     -0.191753D+01
   yy         0.657786D+02      0.974738D+01      0.108454D+02
   zx         0.855548D+01      0.126779D+01      0.141061D+01
   zy        -0.275531D+01     -0.408294D+00     -0.454289D+00
   zz         0.771573D+02      0.114335D+02      0.127215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.764494D+02      0.113286D+02      0.126048D+02
   aniso      0.273781D+02      0.405701D+01      0.451403D+01
   xx         0.716266D+02      0.106140D+02      0.118096D+02
   yx        -0.113782D+02     -0.168607D+01     -0.187601D+01
   yy         0.728730D+02      0.107987D+02      0.120151D+02
   zx         0.749635D+01      0.111084D+01      0.123598D+01
   zy        -0.330118D+01     -0.489184D+00     -0.544291D+00
   zz         0.848484D+02      0.125732D+02      0.139896D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 The number of Unix installations has grown to 10,
  with more expected.
                  -- The Unix Programmer's Manual,
                     2nd Edition, June, 1972.
 Job cpu time:       0 days  1 hours 21 minutes 55.6 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 17.0 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:30:11 2021.
